3-[(1-aminocyclohexanecarbonyl)amino]propanoic acid

C10H18N2O3 — CID 15159770

IUPAC3-[(1-aminocyclohexanecarbonyl)amino]propanoic acid
SMILESNC1(C(=O)NCCC(=O)O)CCCCC1
InChIInChI=1S/C10H18N2O3/c11-10(5-2-1-3-6-10)9(15)12-7-4-8(13)14/h1-7,11H2,(H,12,15)(H,13,14)
InChIKeyYCYPWBIQEMTWNB-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.24
Rot. Bonds4

About 3-[(1-aminocyclohexanecarbonyl)amino]propanoic acid

3-[(1-aminocyclohexanecarbonyl)amino]propanoic acid (PubChem CID 15159770) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-[(1-aminocyclohexanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(1-aminocyclohexanecarbonyl)amino]propanoic acid
PubChem CID15159770
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-[(1-aminocyclohexanecarbonyl)amino]propanoic acid
SMILESNC1(C(=O)NCCC(=O)O)CCCCC1
InChIInChI=1S/C10H18N2O3/c11-10(5-2-1-3-6-10)9(15)12-7-4-8(13)14/h1-7,11H2,(H,12,15)(H,13,14)
InChIKeyYCYPWBIQEMTWNB-UHFFFAOYSA-N
XLogP0.24
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(1-aminocyclohexanecarbonyl)amino]propanoic 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 3-[(1-aminocyclohexanecarbonyl)amino]propanoic acid?
The IUPAC name of 3-[(1-aminocyclohexanecarbonyl)amino]propanoic acid (CID 15159770) is 3-[(1-aminocyclohexanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(1-aminocyclohexanecarbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(1-aminocyclohexanecarbonyl)amino]propanoic acid is NC1(C(=O)NCCC(=O)O)CCCCC1.
What is the InChIKey of 3-[(1-aminocyclohexanecarbonyl)amino]propanoic acid?
The InChIKey is YCYPWBIQEMTWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c11-10(5-2-1-3-6-10)9(15)12-7-4-8(13)14/h1-7,11H2,(H,12,15)(H,13,14).
What are the key properties of 3-[(1-aminocyclohexanecarbonyl)amino]propanoic acid?
3-[(1-aminocyclohexanecarbonyl)amino]propanoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclohexanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 15159770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).