4-(but-2-ynoylamino)cyclopent-2-ene-1-carboxylic acid

C10H11NO3 — CID 107986819

IUPAC4-(but-2-ynoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESCC#CC(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C10H11NO3/c1-2-3-9(12)11-8-5-4-7(6-8)10(13)14/h4-5,7-8H,6H2,1H3,(H,11,12)(H,13,14)
InChIKeyGEAQXGBRDHXLAP-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.16
Rot. Bonds2

About 4-(but-2-ynoylamino)cyclopent-2-ene-1-carboxylic acid

4-(but-2-ynoylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 107986819) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-(but-2-ynoylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(but-2-ynoylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID107986819
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-(but-2-ynoylamino)cyclopent-2-ene-1-carboxylic acid
SMILESCC#CC(=O)NC1C=CC(C(=O)O)C1
InChIInChI=1S/C10H11NO3/c1-2-3-9(12)11-8-5-4-7(6-8)10(13)14/h4-5,7-8H,6H2,1H3,(H,11,12)(H,13,14)
InChIKeyGEAQXGBRDHXLAP-UHFFFAOYSA-N
XLogP0.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216361
4-(butylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216867
4-(pentylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216817
4-(2-methoxyethylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216090
4-(pentanoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79209353
(1R,4S)-4-benzamidocyclopent-2-ene-1-carboxylic acid
CID 18657670
4-(cyclooctanecarbonylamino)cyclopent-2-ene-1-carboxylic acid
CID 79209356
4-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79215965
4-(cyclohexylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79216512
4-[bis(2-hydroxyethyl)carbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79216415
4-(adamantane-1-carbonylamino)cyclopent-2-ene-1-carboxylic acid
CID 79192975
4-[(3-chloro-4-methylbenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79209119

Frequently Asked Questions

What is the IUPAC name of 4-(but-2-ynoylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(but-2-ynoylamino)cyclopent-2-ene-1-carboxylic acid (CID 107986819) is 4-(but-2-ynoylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(but-2-ynoylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(but-2-ynoylamino)cyclopent-2-ene-1-carboxylic acid is CC#CC(=O)NC1C=CC(C(=O)O)C1.
What is the InChIKey of 4-(but-2-ynoylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is GEAQXGBRDHXLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-3-9(12)11-8-5-4-7(6-8)10(13)14/h4-5,7-8H,6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 4-(but-2-ynoylamino)cyclopent-2-ene-1-carboxylic acid?
4-(but-2-ynoylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(but-2-ynoylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 107986819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).