3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid

C13H24N2O4 — CID 66175537

IUPAC3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
SMILESCC(NC(=O)NCC(C)(O)C(=O)O)C1CCCCC1
InChIInChI=1S/C13H24N2O4/c1-9(10-6-4-3-5-7-10)15-12(18)14-8-13(2,19)11(16)17/h9-10,19H,3-8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeySZCLPTQVWNSGFD-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.09
Rot. Bonds5

About 3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid

3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid (PubChem CID 66175537) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
PubChem CID66175537
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
SMILESCC(NC(=O)NCC(C)(O)C(=O)O)C1CCCCC1
InChIInChI=1S/C13H24N2O4/c1-9(10-6-4-3-5-7-10)15-12(18)14-8-13(2,19)11(16)17/h9-10,19H,3-8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeySZCLPTQVWNSGFD-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

1-(1-cyclohexylethyl)-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111507119
1-(1-cyclobutylethyl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 109499928
2-(1-cyclohexylethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 62405639
1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111481813
3-(butan-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173440
1-(1-cyclohexylethyl)-3-(3-hydroxybutyl)urea
CID 111507132
3-(1-cyclopentylethylcarbamoylamino)-2-hydroxypropanoic acid
CID 66166167
1-(1-cyclohexylethyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111619002
2-hydroxy-2-methyl-3-(4-methylpentan-2-ylcarbamoylamino)propanoic acid
CID 66176778
3-(1-cyclopentylethylcarbamoylamino)-3-methylbutanoic acid
CID 64701514
3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173795
4-[[(1R)-1-cycloheptylethyl]amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 81391001

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid (CID 66175537) is 3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid is CC(NC(=O)NCC(C)(O)C(=O)O)C1CCCCC1.
What is the InChIKey of 3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid?
The InChIKey is SZCLPTQVWNSGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(10-6-4-3-5-7-10)15-12(18)14-8-13(2,19)11(16)17/h9-10,19H,3-8H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid?
3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic 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 3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 66175537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).