2-[butyl(ethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid

C15H27NO3 — CID 114511258

IUPAC2-[butyl(ethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCCCN(CC)C(=O)C1CC(CC)CC1C(=O)O
InChIInChI=1S/C15H27NO3/c1-4-7-8-16(6-3)14(17)12-9-11(5-2)10-13(12)15(18)19/h11-13H,4-10H2,1-3H3,(H,18,19)
InChIKeyQRKPKMQOVPKQHQ-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.77
Rot. Bonds7

About 2-[butyl(ethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid

2-[butyl(ethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid (PubChem CID 114511258) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[butyl(ethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[butyl(ethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
PubChem CID114511258
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-[butyl(ethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCCCN(CC)C(=O)C1CC(CC)CC1C(=O)O
InChIInChI=1S/C15H27NO3/c1-4-7-8-16(6-3)14(17)12-9-11(5-2)10-13(12)15(18)19/h11-13H,4-10H2,1-3H3,(H,18,19)
InChIKeyQRKPKMQOVPKQHQ-UHFFFAOYSA-N
XLogP2.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[bis(2-hydroxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511610
4-ethyl-2-[ethyl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114512018
2-[3-(dimethylamino)propyl-ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 102991709
2-[cyclobutyl(3-hydroxypropyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 102860789
(1S,6R)-6-(dibutylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 7030737
2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975228
2-[2-cyanoethyl(2-methoxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511800
cis-(1S,2R)-2-[ethyl(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93344004
N-(3-aminopropyl)-N-ethyl-2-methylcyclopropane-1-carboxamide
CID 43136497
4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511275
1-[butyl(ethyl)carbamoyl]-4-ethylpiperidine-2-carboxylic acid
CID 114430130
N-butyl-N-ethyladamantane-2-carboxamide
CID 86910306

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[butyl(ethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid (CID 114511258) is 2-[butyl(ethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[butyl(ethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[butyl(ethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid is CCCCN(CC)C(=O)C1CC(CC)CC1C(=O)O.
What is the InChIKey of 2-[butyl(ethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
The InChIKey is QRKPKMQOVPKQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-7-8-16(6-3)14(17)12-9-11(5-2)10-13(12)15(18)19/h11-13H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[butyl(ethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid?
2-[butyl(ethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114511258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).