(1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

C6H9NO2 — CID 12851885

IUPAC(1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
SMILESO=C(O)[C@@H]1NC[C@@H]2C[C@@H]21
InChIInChI=1S/C6H9NO2/c8-6(9)5-4-1-3(4)2-7-5/h3-5,7H,1-2H2,(H,8,9)/t3-,4-,5+/m0/s1
InChIKeyJBDOTWVUXVXVDR-VAYJURFESA-N
MW127.14 g/mol
LogP-0.32
Rot. Bonds1

About (1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

(1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid (PubChem CID 12851885) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid.

Molecular Properties

Compound Name(1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
PubChem CID12851885
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
SMILESO=C(O)[C@@H]1NC[C@@H]2C[C@@H]21
InChIInChI=1S/C6H9NO2/c8-6(9)5-4-1-3(4)2-7-5/h3-5,7H,1-2H2,(H,8,9)/t3-,4-,5+/m0/s1
InChIKeyJBDOTWVUXVXVDR-VAYJURFESA-N
XLogP-0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3,5-dicarboxylic acid
CID 75089596
1,2,3,3a,4,5,6,6a-octahydropyrrolo[3,4-c]pyrrole-4-carboxylic acid
CID 67231854
(1R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole-1-carboxylic acid
CID 45082692
(1S,2R,6S)-3-azabicyclo[4.1.0]heptane-2-carboxylic acid;hydrochloride
CID 154814140
(3R,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylic acid
CID 13232017
2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cycloocta[c]pyrrole-3-carboxylic acid
CID 163706670
methyl 3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride
CID 69499214
ethyl (1R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylate
CID 54230986
(1R,3aS,7aS)-6-oxo-1,2,3,3a,4,5,7,7a-octahydroisoindole-1-carboxylic acid
CID 124707465
1-[(3S)-5-chloro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]ethanone
CID 70337884
(3R,3aS,6S,6aS)-6-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylic acid
CID 99943340
(1S,2R,5S)-7-oxo-3-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 124707464

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid?
The IUPAC name of (1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid (CID 12851885) is (1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid.
What is the SMILES notation for (1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid?
The canonical SMILES for (1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid is O=C(O)[C@@H]1NC[C@@H]2C[C@@H]21.
What is the InChIKey of (1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid?
The InChIKey is JBDOTWVUXVXVDR-VAYJURFESA-N. The full InChI is InChI=1S/C6H9NO2/c8-6(9)5-4-1-3(4)2-7-5/h3-5,7H,1-2H2,(H,8,9)/t3-,4-,5+/m0/s1.
What are the key properties of (1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid?
(1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid has a molecular weight of 127.14 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid is sourced from PubChem (CID 12851885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).