2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid

C10H13NO3 — CID 103977753

IUPAC2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESC#CCNC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C10H13NO3/c1-2-6-11-9(12)7-4-3-5-8(7)10(13)14/h1,7-8H,3-6H2,(H,11,12)(H,13,14)
InChIKeyHMLWCSMBKQBDGV-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.24
Rot. Bonds3

About 2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid

2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103977753) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103977753
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESC#CCNC(=O)C1CCCC1C(=O)O
InChIInChI=1S/C10H13NO3/c1-2-6-11-9(12)7-4-3-5-8(7)10(13)14/h1,7-8H,3-6H2,(H,11,12)(H,13,14)
InChIKeyHMLWCSMBKQBDGV-UHFFFAOYSA-N
XLogP0.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.24
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

2-methyl-N-prop-2-ynylpiperidine-3-carboxamide
CID 131048074
2-(hex-5-ynylcarbamoyl)cyclohexane-1-carboxylic acid
CID 103829449
2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214739
N-prop-2-ynylcyclooctanecarboxamide
CID 65020760
2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977876
2-methyl-N-prop-2-ynyloxolane-3-carboxamide
CID 79762562
2-(2,2-difluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103979066
cis-(1S,2R)-2-(2-acetamidoethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 42302869
2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 3133162
2-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103979063
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107846643
N-prop-2-ynylbicyclo[4.1.0]heptane-7-carboxamide
CID 79139027

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103977753) is 2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid is C#CCNC(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is HMLWCSMBKQBDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-6-11-9(12)7-4-3-5-8(7)10(13)14/h1,7-8H,3-6H2,(H,11,12)(H,13,14).
What are the key properties of 2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid?
2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 195.22 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103977753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).