2-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid

C14H23NO4 — CID 103978575

IUPAC2-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCN(CC1CCCO1)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C14H23NO4/c1-2-15(9-10-5-4-8-19-10)13(16)11-6-3-7-12(11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyWRPXUJYUMXMZHM-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.51
Rot. Bonds5

About 2-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid

2-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 103978575) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID103978575
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name2-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCN(CC1CCCO1)C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C14H23NO4/c1-2-15(9-10-5-4-8-19-10)13(16)11-6-3-7-12(11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyWRPXUJYUMXMZHM-UHFFFAOYSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720413
3-amino-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 62776848
3-[(2R,6S)-2,6-dimethylcyclohexyl]-1-ethyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 95972940
(2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide
CID 120927936
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid
CID 61439375
2-(dipentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978393
(2S,5R)-5-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxolane-2-carboxamide
CID 120789898
(2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide;hydrochloride
CID 120927935
3-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 62808740
N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
CID 62727320
N-ethyl-2-methyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62846746
1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
CID 61439374

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 103978575) is 2-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid is CCN(CC1CCCO1)C(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is WRPXUJYUMXMZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-2-15(9-10-5-4-8-19-10)13(16)11-6-3-7-12(11)14(17)18/h10-12H,2-9H2,1H3,(H,17,18).
What are the key properties of 2-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).