4-(3-cyclohexylpropanoylamino)-2-hydroxybutanoic acid

C13H23NO4 — CID 114006236

IUPAC4-(3-cyclohexylpropanoylamino)-2-hydroxybutanoic acid
SMILESO=C(CCC1CCCCC1)NCCC(O)C(=O)O
InChIInChI=1S/C13H23NO4/c15-11(13(17)18)8-9-14-12(16)7-6-10-4-2-1-3-5-10/h10-11,15H,1-9H2,(H,14,16)(H,17,18)
InChIKeyOSVMZYWBOHXIQF-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.30
Rot. Bonds7

About 4-(3-cyclohexylpropanoylamino)-2-hydroxybutanoic acid

4-(3-cyclohexylpropanoylamino)-2-hydroxybutanoic acid (PubChem CID 114006236) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-(3-cyclohexylpropanoylamino)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(3-cyclohexylpropanoylamino)-2-hydroxybutanoic acid
PubChem CID114006236
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name4-(3-cyclohexylpropanoylamino)-2-hydroxybutanoic acid
SMILESO=C(CCC1CCCCC1)NCCC(O)C(=O)O
InChIInChI=1S/C13H23NO4/c15-11(13(17)18)8-9-14-12(16)7-6-10-4-2-1-3-5-10/h10-11,15H,1-9H2,(H,14,16)(H,17,18)
InChIKeyOSVMZYWBOHXIQF-UHFFFAOYSA-N
XLogP1.30
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-(3-piperidin-4-ylpropanoylamino)butanoic acid
CID 114006841
3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid
CID 66164999
3-cyclopentyl-N-[2-(3-hydroxybutylamino)-2-oxoethyl]propanamide
CID 111433458
3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid
CID 66166053
(2S)-3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid
CID 107833229
N-(2-chloroethyl)-3-cyclohexylpropanamide
CID 61288292
3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
CID 5183874
(2S)-4-(cycloheptanecarbonylamino)-2-hydroxybutanoic acid
CID 107834810
3-cyclohexyl-N-[2-(2-hydroxypropylamino)ethyl]propanamide
CID 104593625
3-cyclohexyl-N-(5-hydroxy-4-methylpentyl)propanamide
CID 113340801
(2R)-11-cycloheptyl-2-hydroxyundecanoic acid
CID 101288409
4-(2-cyclohexylethylamino)-4-oxobutanoic acid
CID 60919559

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexylpropanoylamino)-2-hydroxybutanoic acid?
The IUPAC name of 4-(3-cyclohexylpropanoylamino)-2-hydroxybutanoic acid (CID 114006236) is 4-(3-cyclohexylpropanoylamino)-2-hydroxybutanoic acid.
What is the SMILES notation for 4-(3-cyclohexylpropanoylamino)-2-hydroxybutanoic acid?
The canonical SMILES for 4-(3-cyclohexylpropanoylamino)-2-hydroxybutanoic acid is O=C(CCC1CCCCC1)NCCC(O)C(=O)O.
What is the InChIKey of 4-(3-cyclohexylpropanoylamino)-2-hydroxybutanoic acid?
The InChIKey is OSVMZYWBOHXIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c15-11(13(17)18)8-9-14-12(16)7-6-10-4-2-1-3-5-10/h10-11,15H,1-9H2,(H,14,16)(H,17,18).
What are the key properties of 4-(3-cyclohexylpropanoylamino)-2-hydroxybutanoic acid?
4-(3-cyclohexylpropanoylamino)-2-hydroxybutanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexylpropanoylamino)-2-hydroxybutanoic acid is sourced from PubChem (CID 114006236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).