2-[ethyl(prop-2-ynyl)carbamoyl]cyclopentane-1-carboxylic acid

C12H17NO3 — CID 103979079

IUPAC2-[ethyl(prop-2-ynyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESC#CCN(CC)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C12H17NO3/c1-3-8-13(4-2)11(14)9-6-5-7-10(9)12(15)16/h1,9-10H,4-8H2,2H3,(H,15,16)
InChIKeyVOYCUXOQZMWKEK-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.97
Rot. Bonds4

About 2-[ethyl(prop-2-ynyl)carbamoyl]cyclopentane-1-carboxylic acid

2-[ethyl(prop-2-ynyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103979079) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[ethyl(prop-2-ynyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(prop-2-ynyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103979079
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[ethyl(prop-2-ynyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESC#CCN(CC)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C12H17NO3/c1-3-8-13(4-2)11(14)9-6-5-7-10(9)12(15)16/h1,9-10H,4-8H2,2H3,(H,15,16)
InChIKeyVOYCUXOQZMWKEK-UHFFFAOYSA-N
XLogP0.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-prop-2-ynylcyclopentanecarboxamide
CID 78970864
N-ethyl-N-prop-2-ynylcyclopropanecarboxamide
CID 78970835
2-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55011705
2-(dipentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978393
2-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978575
2-[cyclohexyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 16792487
N-ethyl-3-methyl-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 102779892
2-[(1,1-dioxothiolan-3-yl)-prop-2-ynylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978465
cis-(1R,2S)-2-[bis(2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 847386
2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977753
2-[[cyclopropylmethyl(ethyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79284715
3-amino-N,N-diethyl-2-methylcyclohexane-1-carboxamide
CID 62777725

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(prop-2-ynyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[ethyl(prop-2-ynyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103979079) is 2-[ethyl(prop-2-ynyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[ethyl(prop-2-ynyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[ethyl(prop-2-ynyl)carbamoyl]cyclopentane-1-carboxylic acid is C#CCN(CC)C(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[ethyl(prop-2-ynyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is VOYCUXOQZMWKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-8-13(4-2)11(14)9-6-5-7-10(9)12(15)16/h1,9-10H,4-8H2,2H3,(H,15,16).
What are the key properties of 2-[ethyl(prop-2-ynyl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[ethyl(prop-2-ynyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(prop-2-ynyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103979079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).