2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxybutanoic acid

C13H24N2O4 — CID 61468066

IUPAC2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxybutanoic acid
SMILESCCC1CCC(NC(=O)NC(C(=O)O)C(C)O)CC1
InChIInChI=1S/C13H24N2O4/c1-3-9-4-6-10(7-5-9)14-13(19)15-11(8(2)16)12(17)18/h8-11,16H,3-7H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyKRSGKZMZQRGQAE-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.09
Rot. Bonds5

About 2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxybutanoic acid

2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxybutanoic acid (PubChem CID 61468066) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxybutanoic acid
PubChem CID61468066
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxybutanoic acid
SMILESCCC1CCC(NC(=O)NC(C(=O)O)C(C)O)CC1
InChIInChI=1S/C13H24N2O4/c1-3-9-4-6-10(7-5-9)14-13(19)15-11(8(2)16)12(17)18/h8-11,16H,3-7H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyKRSGKZMZQRGQAE-UHFFFAOYSA-N
XLogP1.09
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethylcyclohexyl)carbamoylamino]-3-methylpentanoic acid
CID 61468155
3-[(4-ethylcyclohexyl)carbamoylamino]butanoic acid
CID 54955248
(2S)-2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxypropanoic acid
CID 54955301
(2S)-2-[(4-ethylcyclohexyl)carbamoylamino]pentanoic acid
CID 107566467
(2S,3R)-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]-3-hydroxybutanoic acid
CID 104965896
3-[(4-ethylcyclohexyl)amino]-2-methyl-3-oxopropanoic acid
CID 114898215
2-[[(4-ethylcyclohexyl)carbamoylamino]methyl]-3-methylbutanoic acid
CID 65223787
4-[(4-ethylcyclohexyl)carbamoylamino]-3-methylbutanoic acid
CID 81069634
2-[(4-ethylcyclohexyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 61468068
3-hydroxy-2-[(3,3,5,5-tetramethylcyclohexyl)carbamoylamino]butanoic acid
CID 103968063
2-(cyclohexylcarbamoylamino)-3-methylpentanoic acid
CID 4269687
1-amino-3-(4-ethylcyclohexyl)urea
CID 61468290

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxybutanoic acid (CID 61468066) is 2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxybutanoic acid is CCC1CCC(NC(=O)NC(C(=O)O)C(C)O)CC1.
What is the InChIKey of 2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxybutanoic acid?
The InChIKey is KRSGKZMZQRGQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-9-4-6-10(7-5-9)14-13(19)15-11(8(2)16)12(17)18/h8-11,16H,3-7H2,1-2H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxybutanoic acid?
2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxybutanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.09, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylcyclohexyl)carbamoylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 61468066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).