2-[1-cyclopropylethyl(methyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid

C15H25NO3 — CID 114511437

IUPAC2-[1-cyclopropylethyl(methyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N(C)C(C)C2CC2)C1
InChIInChI=1S/C15H25NO3/c1-4-10-7-12(13(8-10)15(18)19)14(17)16(3)9(2)11-5-6-11/h9-13H,4-8H2,1-3H3,(H,18,19)
InChIKeyNSHBCTCNUPLREA-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.38
Rot. Bonds5

About 2-[1-cyclopropylethyl(methyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid

2-[1-cyclopropylethyl(methyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid (PubChem CID 114511437) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(methyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(methyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
PubChem CID114511437
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-[1-cyclopropylethyl(methyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)N(C)C(C)C2CC2)C1
InChIInChI=1S/C15H25NO3/c1-4-10-7-12(13(8-10)15(18)19)14(17)16(3)9(2)11-5-6-11/h9-13H,4-8H2,1-3H3,(H,18,19)
InChIKeyNSHBCTCNUPLREA-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylethyl)-N,2-dimethylcyclopropane-1-carboxamide
CID 51112711
4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511275
6-[1-cyclopropylethyl(methyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 43569018
4-ethyl-2-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511568
4-[1-cyclopropylethyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782964
2-[bis(2-hydroxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511610
cis-(1R,2S)-4-ethyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091827
N-[(1R)-1-cyclopropylethyl]-N-methylcyclopropanecarboxamide
CID 52519617
4-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylcyclohexane-1-carboxamide
CID 79527619
2-[methyl(1-methylsulfonylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119185161
2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 102860789
3-amino-N-(1-cyclopropylethyl)-N-methylcyclopentane-1-carboxamide
CID 66032087

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(methyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[1-cyclopropylethyl(methyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid (CID 114511437) is 2-[1-cyclopropylethyl(methyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[1-cyclopropylethyl(methyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[1-cyclopropylethyl(methyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)N(C)C(C)C2CC2)C1.
What is the InChIKey of 2-[1-cyclopropylethyl(methyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The InChIKey is NSHBCTCNUPLREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-10-7-12(13(8-10)15(18)19)14(17)16(3)9(2)11-5-6-11/h9-13H,4-8H2,1-3H3,(H,18,19).
What are the key properties of 2-[1-cyclopropylethyl(methyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
2-[1-cyclopropylethyl(methyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(methyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).