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

C15H27NO4 — CID 106348503

IUPAC4-ethyl-2-[(1-hydroxy-4-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NC(CCO)C(C)C)C1
InChIInChI=1S/C15H27NO4/c1-4-10-7-11(12(8-10)15(19)20)14(18)16-13(5-6-17)9(2)3/h9-13,17H,4-8H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyOPLLSVOYSSRISB-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.65
Rot. Bonds7

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

4-ethyl-2-[(1-hydroxy-4-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 106348503) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 4-ethyl-2-[(1-hydroxy-4-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-[(1-hydroxy-4-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID106348503
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name4-ethyl-2-[(1-hydroxy-4-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1CC(C(=O)O)C(C(=O)NC(CCO)C(C)C)C1
InChIInChI=1S/C15H27NO4/c1-4-10-7-11(12(8-10)15(19)20)14(18)16-13(5-6-17)9(2)3/h9-13,17H,4-8H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyOPLLSVOYSSRISB-UHFFFAOYSA-N
XLogP1.65
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 83176642
2-[4-(dimethylamino)butan-2-ylcarbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511694
cis-(1R,2S)-4-ethyl-2-[2-(2-hydroxyethyl)pentylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106114027
cis-(1R,2S)-4-ethyl-2-(pent-4-en-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114092876
4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511327
4-ethyl-2-[(2-hydroxy-3-methylbutyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114512122
4-ethyl-2-[1-(furan-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511419
cis-(1R,2S)-4-ethyl-2-(4-hydroxypentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 106120354
4-ethyl-2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511550
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 107846690
4-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511535
2-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390830

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(1-hydroxy-4-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-ethyl-2-[(1-hydroxy-4-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 106348503) is 4-ethyl-2-[(1-hydroxy-4-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-[(1-hydroxy-4-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-2-[(1-hydroxy-4-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid is CCC1CC(C(=O)O)C(C(=O)NC(CCO)C(C)C)C1.
What is the InChIKey of 4-ethyl-2-[(1-hydroxy-4-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is OPLLSVOYSSRISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-4-10-7-11(12(8-10)15(19)20)14(18)16-13(5-6-17)9(2)3/h9-13,17H,4-8H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 4-ethyl-2-[(1-hydroxy-4-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
4-ethyl-2-[(1-hydroxy-4-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 285.38 g/mol, XLogP of 1.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(1-hydroxy-4-methylpentan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106348503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).