3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid

C12H20N2O3 — CID 64610824

IUPAC3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CC1CNC1)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c15-11(4-8-6-13-7-8)14-10-3-1-2-9(5-10)12(16)17/h8-10,13H,1-7H2,(H,14,15)(H,16,17)
InChIKeyGNPVHSONHLGWFN-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.36
Rot. Bonds4

About 3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid

3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 64610824) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID64610824
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CC1CNC1)NC1CCCC(C(=O)O)C1
InChIInChI=1S/C12H20N2O3/c15-11(4-8-6-13-7-8)14-10-3-1-2-9(5-10)12(16)17/h8-10,13H,1-7H2,(H,14,15)(H,16,17)
InChIKeyGNPVHSONHLGWFN-UHFFFAOYSA-N
XLogP0.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-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

3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66031106
cis-(1R,3S)-3-[(2-cyclopropylacetyl)amino]cyclopentane-1-carboxylic acid
CID 106320836
5-[[2-[5-[(2-cycloheptylacetyl)amino]cyclooctyl]acetyl]amino]cyclooctane-1-carboxylic acid
CID 163822868
2-(azetidin-3-yl)-N-(3-methylcyclobutyl)acetamide
CID 115739761
2-(azetidin-3-yl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)acetamide
CID 65471237
N-(3-hydroxycyclohexyl)-2-piperidin-3-ylacetamide
CID 62675235
N-(4-aminocyclohexyl)-2-(azetidin-3-yl)acetamide
CID 64612464
4-[[[2-(azetidin-3-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79525505
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63043303
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 79327663
N-(3,4-dimethylcyclohexyl)-2-piperidin-3-ylacetamide
CID 64743103
N-(3-aminocyclohexyl)-2-cyclopropylacetamide
CID 83619282

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 64610824) is 3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid is O=C(CC1CNC1)NC1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is GNPVHSONHLGWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-11(4-8-6-13-7-8)14-10-3-1-2-9(5-10)12(16)17/h8-10,13H,1-7H2,(H,14,15)(H,16,17).
What are the key properties of 3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64610824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).