2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid

C14H25NO3 — CID 119198955

IUPAC2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)C(C)CC1CCCC1)C(=O)O
InChIInChI=1S/C14H25NO3/c1-4-14(3,13(17)18)15-12(16)10(2)9-11-7-5-6-8-11/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyOMQRMCCUDKXEAA-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.57
Rot. Bonds6

About 2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid

2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid (PubChem CID 119198955) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid
PubChem CID119198955
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)C(C)CC1CCCC1)C(=O)O
InChIInChI=1S/C14H25NO3/c1-4-14(3,13(17)18)15-12(16)10(2)9-11-7-5-6-8-11/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyOMQRMCCUDKXEAA-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3-cyclopentyl-2-methylpropanoyl)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-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid?
The IUPAC name of 2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid (CID 119198955) is 2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid is CCC(C)(NC(=O)C(C)CC1CCCC1)C(=O)O.
What is the InChIKey of 2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid?
The InChIKey is OMQRMCCUDKXEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-4-14(3,13(17)18)15-12(16)10(2)9-11-7-5-6-8-11/h10-11H,4-9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid?
2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid has a molecular weight of 255.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopentyl-2-methylpropanoyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 119198955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).