3-[ethyl(2-methylprop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid

C13H21NO3 — CID 103549871

IUPAC3-[ethyl(2-methylprop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESC=C(C)CN(CC)C(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C13H21NO3/c1-4-14(8-9(2)3)12(15)10-5-6-11(7-10)13(16)17/h10-11H,2,4-8H2,1,3H3,(H,16,17)
InChIKeyCTRJNTVODATAGI-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.91
Rot. Bonds5

About 3-[ethyl(2-methylprop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid

3-[ethyl(2-methylprop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103549871) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-[ethyl(2-methylprop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl(2-methylprop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103549871
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-[ethyl(2-methylprop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESC=C(C)CN(CC)C(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C13H21NO3/c1-4-14(8-9(2)3)12(15)10-5-6-11(7-10)13(16)17/h10-11H,2,4-8H2,1,3H3,(H,16,17)
InChIKeyCTRJNTVODATAGI-UHFFFAOYSA-N
XLogP1.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103551173
1-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]-2-methylpiperidine-4-carboxylic acid
CID 106745003
3-[ethyl(2-ethylbutyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784340
N-ethyl-N-(2-methylprop-2-enyl)piperidine-3-carboxamide
CID 24696269
cis-(1S,3R)-3-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092043
3-amino-N,N-diethyl-4-methylcyclohexane-1-carboxamide
CID 62777554
3-[3-(dimethylamino)propyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 102995766
3-[butan-2-yl(ethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549713
3-[2-ethoxyethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237345
4-[cyclopropylmethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63955071
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
3-[methyl(pentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549901

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methylprop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[ethyl(2-methylprop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103549871) is 3-[ethyl(2-methylprop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[ethyl(2-methylprop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[ethyl(2-methylprop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid is C=C(C)CN(CC)C(=O)C1CCC(C(=O)O)C1.
What is the InChIKey of 3-[ethyl(2-methylprop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is CTRJNTVODATAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-4-14(8-9(2)3)12(15)10-5-6-11(7-10)13(16)17/h10-11H,2,4-8H2,1,3H3,(H,16,17).
What are the key properties of 3-[ethyl(2-methylprop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[ethyl(2-methylprop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methylprop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103549871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).