(3R)-N-Boc-2-azabicyclo(2.2.1)heptane-3-carboxylic acid
(1S,3R,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
Molecular Identity
(3R)-N-Boc-2-azabicyclo(2.2.1)heptane-3-carboxylic acid
(1S,3R,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
PubChem CID: 69804458
2D Structure
Properties
C12H19NO4
Molecular Formula
241.28
Molecular Weight
g/mol
241.1314
Exact Mass
Da
1.7
XLogP
Drug-like (Lipinski: < 5)
66.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
347
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)OC(=O)N1C2CCC(C2)C1C(=O)OIsomeric SMILES
SMILES: CC(C)(C)OC(=O)N1[C@H]2CC[C@H](C2)[C@@H]1C(=O)OSynonyms(20)
291775-53-6(3R)-N-Boc-2-azabicyclo[2.2.1]heptane-3-carboxylic acid(3R)-N-Boc-2-azabicyclo(2.2.1)heptane-3-carboxylic acidRefChem:401000622-443-4(1S,3R,4R)-2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid(1S,3R,4R)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acidMFCD11656159(1S,3R,4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acidRel-(1s,3s,4r)-2-(tert-butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid(1S,3R,4R)-2-tert-butoxycarbonyl-2-azabicyclo[2.2.1]heptane-3-carboxylic acid2-azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 2-(1,1-dimethylethyl) ester, (1s,3r,4r)-(1S,3R,4R)-2-Boc-2-azabicyclo[2.2.1]heptane-3-carboxylic acidSCHEMBL6504447IFAMSTPTNRJBRG-HRDYMLBCSA-N
Data from PubChem (NCBI)
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Molecular Structure
(3R)-N-Boc-2-azabicyclo(2.2.1)heptane-3-carboxylic acid
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Drug Network
Trials and conditions connected to (3R)-N-Boc-2-azabicyclo(2.2.1)heptane-3-carboxylic acid
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