2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid

C13H23N3O4 — CID 79801359

IUPAC2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)N(CC(N)=O)C1CCCC1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-3-13(2,11(18)19)15-12(20)16(8-10(14)17)9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyLXMVZIZKVHRFSR-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.68
Rot. Bonds6

About 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid

2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid (PubChem CID 79801359) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid
PubChem CID79801359
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)N(CC(N)=O)C1CCCC1)C(=O)O
InChIInChI=1S/C13H23N3O4/c1-3-13(2,11(18)19)15-12(20)16(8-10(14)17)9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H2,14,17)(H,15,20)(H,18,19)
InChIKeyLXMVZIZKVHRFSR-UHFFFAOYSA-N
XLogP0.68
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic 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 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid (CID 79801359) is 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid is CCC(C)(NC(=O)N(CC(N)=O)C1CCCC1)C(=O)O.
What is the InChIKey of 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid?
The InChIKey is LXMVZIZKVHRFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-3-13(2,11(18)19)15-12(20)16(8-10(14)17)9-6-4-5-7-9/h9H,3-8H2,1-2H3,(H2,14,17)(H,15,20)(H,18,19).
What are the key properties of 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid?
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 79801359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).