4-ethyl-2-[(2-hydroxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid

C14H25NO4 — CID 114512122

IUPAC4-ethyl-2-[(2-hydroxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NCC(O)C(C)C)C1
InChIInChI=1S/C14H25NO4/c1-4-9-5-10(11(6-9)14(18)19)13(17)15-7-12(16)8(2)3/h8-12,16H,4-7H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyYZNKJHTYOQZONZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.26
Rot. Bonds6

About 4-ethyl-2-[(2-hydroxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid

4-ethyl-2-[(2-hydroxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114512122) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-ethyl-2-[(2-hydroxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[(2-hydroxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114512122
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name4-ethyl-2-[(2-hydroxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NCC(O)C(C)C)C1
InChIInChI=1S/C14H25NO4/c1-4-9-5-10(11(6-9)14(18)19)13(17)15-7-12(16)8(2)3/h8-12,16H,4-7H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyYZNKJHTYOQZONZ-UHFFFAOYSA-N
XLogP1.26
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511327
N-(2-hydroxy-3-methylbutyl)-2-methylcyclopropane-1-carboxamide
CID 115701552
cis-(1R,2S)-4-ethyl-2-(4-hydroxypentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 106120354
cis-(1R,2S)-4-ethyl-2-[2-(2-hydroxyethyl)pentylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106114027
2-(2-ethoxyethylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114511477
4-ethyl-2-(2-methylprop-2-enylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114615292
cis-(1R,2S)-4-ethyl-2-(2,2,3,3-tetrafluoropropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 106290416
4-ethyl-2-(3-propan-2-yloxypropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511517
cis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114092436
cis-(1R,2S)-2-(2,2-dimethylbutylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114093178
4-ethyl-2-[(4-methylcyclohexyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511796
4-ethyl-2-[(1-hydroxy-4-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 106348503

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(2-hydroxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-[(2-hydroxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114512122) is 4-ethyl-2-[(2-hydroxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[(2-hydroxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[(2-hydroxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)NCC(O)C(C)C)C1.
What is the InChIKey of 4-ethyl-2-[(2-hydroxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is YZNKJHTYOQZONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-9-5-10(11(6-9)14(18)19)13(17)15-7-12(16)8(2)3/h8-12,16H,4-7H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 4-ethyl-2-[(2-hydroxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid?
4-ethyl-2-[(2-hydroxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(2-hydroxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114512122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).