2-[[2-(cyclopentylamino)acetyl]amino]-3,3-dimethylbutanoic acid

C13H24N2O3 — CID 61161581

IUPAC2-[[2-(cyclopentylamino)acetyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)CNC1CCCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-13(2,3)11(12(17)18)15-10(16)8-14-9-6-4-5-7-9/h9,11,14H,4-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyJTEPQNRRTOMSOB-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.13
Rot. Bonds5

About 2-[[2-(cyclopentylamino)acetyl]amino]-3,3-dimethylbutanoic acid

2-[[2-(cyclopentylamino)acetyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 61161581) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[2-(cyclopentylamino)acetyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(cyclopentylamino)acetyl]amino]-3,3-dimethylbutanoic acid
PubChem CID61161581
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[[2-(cyclopentylamino)acetyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)CNC1CCCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-13(2,3)11(12(17)18)15-10(16)8-14-9-6-4-5-7-9/h9,11,14H,4-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyJTEPQNRRTOMSOB-UHFFFAOYSA-N
XLogP1.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(cyclopentylamino)acetyl]amino]-3,3-dimethylbutanoic 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

2-(cyclohexylamino)-N-propan-2-ylacetamide
CID 28565007
(2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid
CID 104928854
(2S)-2-(3-cyclohexylpropanoylamino)-3,3-dimethylbutanoic acid
CID 61143658
(2R)-3,3-dimethyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 103927229
(2R)-2-[(2-cyclobutylacetyl)amino]-3,3-dimethylbutanoic acid
CID 103162147
(2S)-2-(cycloheptylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 61196717
2-[[[2-(cyclopentylamino)acetyl]amino]methyl]-3-methylbutanoic acid
CID 65224280
2-(cyclopentylamino)-N-[(1R)-1-cyclopentylethyl]acetamide
CID 81389612
2-[(2-cyclopropylacetyl)amino]-3,3-dimethylbutanoic acid
CID 43467501
(2R)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-3,3-dimethylbutanoic acid
CID 103926722
2-(cyclobutylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 62416183
(2S)-2-[[2-(cyclopentylamino)acetyl]amino]-4-hydroxybutanoic acid
CID 114005220

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopentylamino)acetyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[[2-(cyclopentylamino)acetyl]amino]-3,3-dimethylbutanoic acid (CID 61161581) is 2-[[2-(cyclopentylamino)acetyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[[2-(cyclopentylamino)acetyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[[2-(cyclopentylamino)acetyl]amino]-3,3-dimethylbutanoic acid is CC(C)(C)C(NC(=O)CNC1CCCC1)C(=O)O.
What is the InChIKey of 2-[[2-(cyclopentylamino)acetyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is JTEPQNRRTOMSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,3)11(12(17)18)15-10(16)8-14-9-6-4-5-7-9/h9,11,14H,4-8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(cyclopentylamino)acetyl]amino]-3,3-dimethylbutanoic acid?
2-[[2-(cyclopentylamino)acetyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopentylamino)acetyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 61161581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).