3-[(4-aminocyclohexanecarbonyl)-propan-2-ylamino]propanoic acid

C13H24N2O3 — CID 61159544

IUPAC3-[(4-aminocyclohexanecarbonyl)-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)C1CCC(N)CC1
InChIInChI=1S/C13H24N2O3/c1-9(2)15(8-7-12(16)17)13(18)10-3-5-11(14)6-4-10/h9-11H,3-8,14H2,1-2H3,(H,16,17)
InChIKeyWQBQZBOZFBTZRJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.22
Rot. Bonds5

About 3-[(4-aminocyclohexanecarbonyl)-propan-2-ylamino]propanoic acid

3-[(4-aminocyclohexanecarbonyl)-propan-2-ylamino]propanoic acid (PubChem CID 61159544) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(4-aminocyclohexanecarbonyl)-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[(4-aminocyclohexanecarbonyl)-propan-2-ylamino]propanoic acid
PubChem CID61159544
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[(4-aminocyclohexanecarbonyl)-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)C1CCC(N)CC1
InChIInChI=1S/C13H24N2O3/c1-9(2)15(8-7-12(16)17)13(18)10-3-5-11(14)6-4-10/h9-11H,3-8,14H2,1-2H3,(H,16,17)
InChIKeyWQBQZBOZFBTZRJ-UHFFFAOYSA-N
XLogP1.22
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(4-aminocyclohexanecarbonyl)-propan-2-ylamino]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-[(4-aminocyclohexanecarbonyl)-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[(4-aminocyclohexanecarbonyl)-propan-2-ylamino]propanoic acid (CID 61159544) is 3-[(4-aminocyclohexanecarbonyl)-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[(4-aminocyclohexanecarbonyl)-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[(4-aminocyclohexanecarbonyl)-propan-2-ylamino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)C1CCC(N)CC1.
What is the InChIKey of 3-[(4-aminocyclohexanecarbonyl)-propan-2-ylamino]propanoic acid?
The InChIKey is WQBQZBOZFBTZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)15(8-7-12(16)17)13(18)10-3-5-11(14)6-4-10/h9-11H,3-8,14H2,1-2H3,(H,16,17).
What are the key properties of 3-[(4-aminocyclohexanecarbonyl)-propan-2-ylamino]propanoic acid?
3-[(4-aminocyclohexanecarbonyl)-propan-2-ylamino]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminocyclohexanecarbonyl)-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 61159544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).