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

C12H22N2O5 — CID 114007356

IUPAC4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
SMILESO=C(O)C(O)CCNC(=O)N(CCO)C1CCCC1
InChIInChI=1S/C12H22N2O5/c15-8-7-14(9-3-1-2-4-9)12(19)13-6-5-10(16)11(17)18/h9-10,15-16H,1-8H2,(H,13,19)(H,17,18)
InChIKeyRGBYFZVYNDPICT-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.23
Rot. Bonds7

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

4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid (PubChem CID 114007356) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
PubChem CID114007356
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
SMILESO=C(O)C(O)CCNC(=O)N(CCO)C1CCCC1
InChIInChI=1S/C12H22N2O5/c15-8-7-14(9-3-1-2-4-9)12(19)13-6-5-10(16)11(17)18/h9-10,15-16H,1-8H2,(H,13,19)(H,17,18)
InChIKeyRGBYFZVYNDPICT-UHFFFAOYSA-N
XLogP-0.23
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[cyclopentyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838455
4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107840485
(2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107840486
5-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686476
4-[[cyclopropyl(ethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838309
4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 114007560
4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
CID 102865736
3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 102865494
4-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-2-hydroxybutanoic acid
CID 107839935
(2S)-4-[[cyclopentylmethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839972
(2S)-2-hydroxy-4-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 114007276
2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 54998545

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid (CID 114007356) is 4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid is O=C(O)C(O)CCNC(=O)N(CCO)C1CCCC1.
What is the InChIKey of 4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The InChIKey is RGBYFZVYNDPICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c15-8-7-14(9-3-1-2-4-9)12(19)13-6-5-10(16)11(17)18/h9-10,15-16H,1-8H2,(H,13,19)(H,17,18).
What are the key properties of 4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid has a molecular weight of 274.32 g/mol, XLogP of -0.23, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 114007356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).