2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid

C15H25NO3 — CID 114512158

IUPAC2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NCCCC2CC2)C1
InChIInChI=1S/C15H25NO3/c1-2-10-8-12(13(9-10)15(18)19)14(17)16-7-3-4-11-5-6-11/h10-13H,2-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyQYCOMMLDMQJDNO-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.43
Rot. Bonds7

About 2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid

2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid (PubChem CID 114512158) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
PubChem CID114512158
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NCCCC2CC2)C1
InChIInChI=1S/C15H25NO3/c1-2-10-8-12(13(9-10)15(18)19)14(17)16-7-3-4-11-5-6-11/h10-13H,2-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyQYCOMMLDMQJDNO-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 106003697
2-(3-cyclopentylpropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 106003676
cis-(1R,2S)-4-ethyl-2-(4-hydroxypentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 106120354
4-ethyl-2-(4-methoxybutylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511716
4-ethyl-2-(3-propan-2-yloxypropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511517
4-ethyl-2-[(4-methylcyclohexyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511796
2-(2-ethoxyethylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114511477
4-ethyl-2-(2-methylsulfinylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114512108
cis-(1R,2S)-2-(2,2-dimethylbutylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114093178
4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511327
4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114615292
4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 107416699

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid (CID 114512158) is 2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)NCCCC2CC2)C1.
What is the InChIKey of 2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid?
The InChIKey is QYCOMMLDMQJDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-2-10-8-12(13(9-10)15(18)19)14(17)16-7-3-4-11-5-6-11/h10-13H,2-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid?
2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114512158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).