(2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid

C10H15NO3 — CID 78972953

IUPAC(2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)CC1C=CCC1)C(=O)O
InChIInChI=1S/C10H15NO3/c1-7(10(13)14)11-9(12)6-8-4-2-3-5-8/h2,4,7-8H,3,5-6H2,1H3,(H,11,12)(H,13,14)/t7-,8?/m1/s1
InChIKeyKWNQGPIFEWRORG-GVHYBUMESA-N
MW197.23 g/mol
LogP0.93
Rot. Bonds4

About (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid

(2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid (PubChem CID 78972953) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
PubChem CID78972953
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)CC1C=CCC1)C(=O)O
InChIInChI=1S/C10H15NO3/c1-7(10(13)14)11-9(12)6-8-4-2-3-5-8/h2,4,7-8H,3,5-6H2,1H3,(H,11,12)(H,13,14)/t7-,8?/m1/s1
InChIKeyKWNQGPIFEWRORG-GVHYBUMESA-N
XLogP0.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.93
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
(2S)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]-4-methylpentanoic acid
CID 61155871
tert-butyl (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoate
CID 81004154
2-[(1S)-cyclopent-2-en-1-yl]-N-[(2R,3S)-4-hydroxy-3-methylsulfanylbutan-2-yl]acetamide
CID 97235375
methyl 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-3-hydroxypropanoate
CID 43407202
2-cyclopent-2-en-1-yl-N-(4-ethylsulfanylbutan-2-yl)acetamide
CID 71993245
2-[(1R)-cyclopent-2-en-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 30906754
methyl (2S)-2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3,3-dimethylbutanoate
CID 95630238
methyl (2R)-2-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-3,3-dimethylbutanoate
CID 95630239
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 39271822
2-[(1R)-cyclopent-2-en-1-yl]-N-[(2S)-2-hydroxy-4-methylpentyl]acetamide
CID 97079501
N-(1-amino-2,3-dimethylbutan-2-yl)-2-cyclopent-2-en-1-ylacetamide
CID 115310441

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid (CID 78972953) is (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid is C[C@@H](NC(=O)CC1C=CCC1)C(=O)O.
What is the InChIKey of (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid?
The InChIKey is KWNQGPIFEWRORG-GVHYBUMESA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(10(13)14)11-9(12)6-8-4-2-3-5-8/h2,4,7-8H,3,5-6H2,1H3,(H,11,12)(H,13,14)/t7-,8?/m1/s1.
What are the key properties of (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid?
(2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid has a molecular weight of 197.23 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-cyclopent-2-en-1-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 78972953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).