3-(but-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid

C11H15NO3 — CID 103551165

IUPAC3-(but-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCC#CCNC(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C11H15NO3/c1-2-3-6-12-10(13)8-4-5-9(7-8)11(14)15/h8-9H,4-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyHMPCUFGFNZPUOR-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.63
Rot. Bonds3

About 3-(but-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid

3-(but-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103551165) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 3-(but-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(but-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103551165
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name3-(but-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCC#CCNC(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C11H15NO3/c1-2-3-6-12-10(13)8-4-5-9(7-8)11(14)15/h8-9H,4-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyHMPCUFGFNZPUOR-UHFFFAOYSA-N
XLogP0.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-2-ynyl-5-methyloxolane-3-carboxamide
CID 126992947
4-(but-2-ynylamino)cyclohexane-1-carboxylic acid
CID 62312161
(2R,5S)-5-(but-2-ynylcarbamoyl)oxolane-2-carboxylic acid
CID 102945677
3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551301
cis-(1S,3R)-3-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106019178
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550480
3-[(2-hydroxy-3-methoxy-3-oxopropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107214937
3-[2-(methylsulfamoyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114174954
3-(but-3-enylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103551169
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
cis-(1S,3R)-3-[(2-hydroxy-4,4-dimethylpentyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114093202

Frequently Asked Questions

What is the IUPAC name of 3-(but-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(but-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103551165) is 3-(but-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(but-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(but-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid is CC#CCNC(=O)C1CCC(C(=O)O)C1.
What is the InChIKey of 3-(but-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is HMPCUFGFNZPUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-3-6-12-10(13)8-4-5-9(7-8)11(14)15/h8-9H,4-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 3-(but-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid?
3-(but-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 209.24 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(but-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).