4-[[cyclopentyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid

C12H22N2O4 — CID 107838455

IUPAC4-[[cyclopentyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid
SMILESCCN(C(=O)NCCC(O)C(=O)O)C1CCCC1
InChIInChI=1S/C12H22N2O4/c1-2-14(9-5-3-4-6-9)12(18)13-8-7-10(15)11(16)17/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyOKSNWLPYKIMGCD-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.80
Rot. Bonds6

About 4-[[cyclopentyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid

4-[[cyclopentyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid (PubChem CID 107838455) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[[cyclopentyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[[cyclopentyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid
PubChem CID107838455
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-[[cyclopentyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid
SMILESCCN(C(=O)NCCC(O)C(=O)O)C1CCCC1
InChIInChI=1S/C12H22N2O4/c1-2-14(9-5-3-4-6-9)12(18)13-8-7-10(15)11(16)17/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyOKSNWLPYKIMGCD-UHFFFAOYSA-N
XLogP0.80
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[cyclopropyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838309
4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107840485
(2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107840486
4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 114007356
4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 114007560
(2S)-4-[[cyclopentylmethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839972
(2S)-2-hydroxy-4-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 114007276
4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybutanoic acid
CID 107839935
4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid
CID 104936189
(2S)-2-hydroxy-4-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]butanoic acid
CID 114007115
(2S)-2-hydroxy-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
CID 107838739
2-[[cyclopentyl(ethyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61227565

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopentyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[[cyclopentyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid (CID 107838455) is 4-[[cyclopentyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[[cyclopentyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[[cyclopentyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid is CCN(C(=O)NCCC(O)C(=O)O)C1CCCC1.
What is the InChIKey of 4-[[cyclopentyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The InChIKey is OKSNWLPYKIMGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-2-14(9-5-3-4-6-9)12(18)13-8-7-10(15)11(16)17/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 4-[[cyclopentyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
4-[[cyclopentyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopentyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107838455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).