(2S)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid

C13H21NO3 — CID 61155871

IUPAC(2S)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)CC1C=CCC1)C(=O)O
InChIInChI=1S/C13H21NO3/c1-9(2)7-11(13(16)17)14-12(15)8-10-5-3-4-6-10/h3,5,9-11H,4,6-8H2,1-2H3,(H,14,15)(H,16,17)/t10?,11-/m0/s1
InChIKeyFOZZEMAATDIMPW-DTIOYNMSSA-N
MW239.31 g/mol
LogP1.96
Rot. Bonds6

About (2S)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid

(2S)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid (PubChem CID 61155871) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is (2S)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid
PubChem CID61155871
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(2S)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)CC1C=CCC1)C(=O)O
InChIInChI=1S/C13H21NO3/c1-9(2)7-11(13(16)17)14-12(15)8-10-5-3-4-6-10/h3,5,9-11H,4,6-8H2,1-2H3,(H,14,15)(H,16,17)/t10?,11-/m0/s1
InChIKeyFOZZEMAATDIMPW-DTIOYNMSSA-N
XLogP1.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
CID 24696738
(2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
CID 78972953
(2S)-2-[(2-cyclopropylacetyl)amino]-4-methylpentanoic acid
CID 61136657
methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-hydroxypropanoate
CID 43407202
2-[(1R)-cyclopent-2-en-1-yl]-N-[(2S)-2-hydroxy-4-methylpentyl]acetamide
CID 97079501
2-[(1R)-cyclopent-2-en-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 30906754
(2S)-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-methylpentanoic acid
CID 61155175
2-cyclopent-2-en-1-yl-N-(4-ethylsulfanylbutan-2-yl)acetamide
CID 71993245
2-[(1S)-cyclopent-2-en-1-yl]-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]acetamide
CID 97235375
2-[(1S)-cyclopent-2-en-1-yl]-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 34760296
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-4-methylpentanoic acid
CID 21179604
methyl (2R)-2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3,3-dimethylbutanoate
CID 95630239

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid (CID 61155871) is (2S)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid is CC(C)C[C@H](NC(=O)CC1C=CCC1)C(=O)O.
What is the InChIKey of (2S)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid?
The InChIKey is FOZZEMAATDIMPW-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9(2)7-11(13(16)17)14-12(15)8-10-5-3-4-6-10/h3,5,9-11H,4,6-8H2,1-2H3,(H,14,15)(H,16,17)/t10?,11-/m0/s1.
What are the key properties of (2S)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid?
(2S)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid has a molecular weight of 239.31 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 61155871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).