3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid

C12H21NO4 — CID 103551173

IUPAC3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCN(CCCO)C(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C12H21NO4/c1-2-13(6-3-7-14)11(15)9-4-5-10(8-9)12(16)17/h9-10,14H,2-8H2,1H3,(H,16,17)
InChIKeyJCQLDUWKQZLFKJ-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.72
Rot. Bonds6

About 3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid

3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103551173) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103551173
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCN(CCCO)C(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C12H21NO4/c1-2-13(6-3-7-14)11(15)9-4-5-10(8-9)12(16)17/h9-10,14H,2-8H2,1H3,(H,16,17)
InChIKeyJCQLDUWKQZLFKJ-UHFFFAOYSA-N
XLogP0.72
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(dimethylamino)propyl-ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 102995766
N-ethyl-N-(3-hydroxypropyl)cycloheptanecarboxamide
CID 115771846
N-ethyl-N-(3-hydroxypropyl)cyclopent-3-ene-1-carboxamide
CID 115771738
3-[ethyl(2-methylprop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549871
N-ethyl-4,4-difluoro-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 113340557
4-amino-N-butyl-N-ethyl-3-methylcyclohexane-1-carboxamide
CID 62781326
3-[2-ethoxyethyl(ethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55237345
3-[bis(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783484
4-[butyl(2-hydroxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782975
3-[2-methoxyethyl(3-methoxypropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550455
1-[ethyl(3-hydroxypropyl)carbamoyl]piperidine-4-carboxylic acid
CID 113468850
3-[butan-2-yl(ethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549713

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103551173) is 3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid is CCN(CCCO)C(=O)C1CCC(C(=O)O)C1.
What is the InChIKey of 3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is JCQLDUWKQZLFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-2-13(6-3-7-14)11(15)9-4-5-10(8-9)12(16)17/h9-10,14H,2-8H2,1H3,(H,16,17).
What are the key properties of 3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid?
3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(3-hydroxypropyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).