3-(1-hydroxypentan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid

C12H21NO4 — CID 103551207

IUPAC3-(1-hydroxypentan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCCC(CCO)NC(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C12H21NO4/c1-2-10(5-6-14)13-11(15)8-3-4-9(7-8)12(16)17/h8-10,14H,2-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyPYPPDLRLKZLGPS-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.76
Rot. Bonds6

About 3-(1-hydroxypentan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid

3-(1-hydroxypentan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 103551207) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-(1-hydroxypentan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-hydroxypentan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID103551207
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name3-(1-hydroxypentan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESCCC(CCO)NC(=O)C1CCC(C(=O)O)C1
InChIInChI=1S/C12H21NO4/c1-2-10(5-6-14)13-11(15)8-3-4-9(7-8)12(16)17/h8-10,14H,2-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyPYPPDLRLKZLGPS-UHFFFAOYSA-N
XLogP0.76
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypentan-3-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 115767243
3-(1-methoxybutan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550803
N-(1-hydroxypentan-3-yl)oxolane-3-carboxamide
CID 115735205
2-(1-hydroxypentan-3-ylamino)cyclobutane-1-carboxylic acid
CID 103267745
N-(1-hydroxypentan-3-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 109478793
(2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide
CID 120627601
N-(1-hydroxypentan-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 110012241
N-(1-hydroxypentan-3-yl)-1,1-dioxothiane-2-carboxamide
CID 113428473
3-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550244
2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60942127
3-[(1-carboxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103550597
N-(4-hydroxybutan-2-yl)cyclopropanecarboxamide
CID 81042795

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypentan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(1-hydroxypentan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid (CID 103551207) is 3-(1-hydroxypentan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(1-hydroxypentan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(1-hydroxypentan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid is CCC(CCO)NC(=O)C1CCC(C(=O)O)C1.
What is the InChIKey of 3-(1-hydroxypentan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is PYPPDLRLKZLGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-2-10(5-6-14)13-11(15)8-3-4-9(7-8)12(16)17/h8-10,14H,2-7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 3-(1-hydroxypentan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid?
3-(1-hydroxypentan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypentan-3-ylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).