4-[1-[[(1R,3R,5S)-2-azabicyclo[3.1.0]hexane-3-carbonyl]amino]cyclopropyl]benzoic acid

C16H18N2O3 — CID 71186652

IUPAC4-[1-[[(1R,3R,5S)-2-azabicyclo[3.1.0]hexane-3-carbonyl]amino]cyclopropyl]benzoic acid
SMILESO=C(O)c1ccc(C2(NC(=O)[C@H]3C[C@@H]4C[C@H]4N3)CC2)cc1
InChIInChI=1S/C16H18N2O3/c19-14(13-8-10-7-12(10)17-13)18-16(5-6-16)11-3-1-9(2-4-11)15(20)21/h1-4,10,12-13,17H,5-8H2,(H,18,19)(H,20,21)/t10-,12+,13+/m0/s1
InChIKeyFPDRTYLYIUDMQQ-CYZMBNFOSA-N
MW286.33 g/mol
LogP1.24
Rot. Bonds4

About 4-[1-[[(1R,3R,5S)-2-azabicyclo[3.1.0]hexane-3-carbonyl]amino]cyclopropyl]benzoic acid

4-[1-[[(1R,3R,5S)-2-azabicyclo[3.1.0]hexane-3-carbonyl]amino]cyclopropyl]benzoic acid (PubChem CID 71186652) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[1-[[(1R,3R,5S)-2-azabicyclo[3.1.0]hexane-3-carbonyl]amino]cyclopropyl]benzoic acid.

Molecular Properties

Compound Name4-[1-[[(1R,3R,5S)-2-azabicyclo[3.1.0]hexane-3-carbonyl]amino]cyclopropyl]benzoic acid
PubChem CID71186652
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-[1-[[(1R,3R,5S)-2-azabicyclo[3.1.0]hexane-3-carbonyl]amino]cyclopropyl]benzoic acid
SMILESO=C(O)c1ccc(C2(NC(=O)[C@H]3C[C@@H]4C[C@H]4N3)CC2)cc1
InChIInChI=1S/C16H18N2O3/c19-14(13-8-10-7-12(10)17-13)18-16(5-6-16)11-3-1-9(2-4-11)15(20)21/h1-4,10,12-13,17H,5-8H2,(H,18,19)(H,20,21)/t10-,12+,13+/m0/s1
InChIKeyFPDRTYLYIUDMQQ-CYZMBNFOSA-N
XLogP1.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[1-[[(1R,3R,5S)-2-azabicyclo[3.1.0]hexane-3-carbonyl]amino]cyclopropyl]benzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[(1R,3R,5S)-2-azabicyclo[3.1.0]hexane-3-carbonyl]amino]cyclopropyl]benzoic acid?
The IUPAC name of 4-[1-[[(1R,3R,5S)-2-azabicyclo[3.1.0]hexane-3-carbonyl]amino]cyclopropyl]benzoic acid (CID 71186652) is 4-[1-[[(1R,3R,5S)-2-azabicyclo[3.1.0]hexane-3-carbonyl]amino]cyclopropyl]benzoic acid.
What is the SMILES notation for 4-[1-[[(1R,3R,5S)-2-azabicyclo[3.1.0]hexane-3-carbonyl]amino]cyclopropyl]benzoic acid?
The canonical SMILES for 4-[1-[[(1R,3R,5S)-2-azabicyclo[3.1.0]hexane-3-carbonyl]amino]cyclopropyl]benzoic acid is O=C(O)c1ccc(C2(NC(=O)[C@H]3C[C@@H]4C[C@H]4N3)CC2)cc1.
What is the InChIKey of 4-[1-[[(1R,3R,5S)-2-azabicyclo[3.1.0]hexane-3-carbonyl]amino]cyclopropyl]benzoic acid?
The InChIKey is FPDRTYLYIUDMQQ-CYZMBNFOSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-14(13-8-10-7-12(10)17-13)18-16(5-6-16)11-3-1-9(2-4-11)15(20)21/h1-4,10,12-13,17H,5-8H2,(H,18,19)(H,20,21)/t10-,12+,13+/m0/s1.
What are the key properties of 4-[1-[[(1R,3R,5S)-2-azabicyclo[3.1.0]hexane-3-carbonyl]amino]cyclopropyl]benzoic acid?
4-[1-[[(1R,3R,5S)-2-azabicyclo[3.1.0]hexane-3-carbonyl]amino]cyclopropyl]benzoic acid has a molecular weight of 286.33 g/mol, XLogP of 1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[(1R,3R,5S)-2-azabicyclo[3.1.0]hexane-3-carbonyl]amino]cyclopropyl]benzoic acid is sourced from PubChem (CID 71186652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).