(2S)-3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid

C13H23NO4 — CID 107833229

IUPAC(2S)-3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid
SMILESO=C(CCCC1CCCCC1)NC[C@H](O)C(=O)O
InChIInChI=1S/C13H23NO4/c15-11(13(17)18)9-14-12(16)8-4-7-10-5-2-1-3-6-10/h10-11,15H,1-9H2,(H,14,16)(H,17,18)/t11-/m0/s1
InChIKeyLIFHCXNDJLCEGT-NSHDSACASA-N
MW257.33 g/mol
LogP1.30
Rot. Bonds7

About (2S)-3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid

(2S)-3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid (PubChem CID 107833229) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2S)-3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid
PubChem CID107833229
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name(2S)-3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid
SMILESO=C(CCCC1CCCCC1)NC[C@H](O)C(=O)O
InChIInChI=1S/C13H23NO4/c15-11(13(17)18)9-14-12(16)8-4-7-10-5-2-1-3-6-10/h10-11,15H,1-9H2,(H,14,16)(H,17,18)/t11-/m0/s1
InChIKeyLIFHCXNDJLCEGT-NSHDSACASA-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

3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid
CID 66166053
3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid
CID 66164999
methyl 3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoate
CID 103879246
(2S)-3-(3-cyclopentylpropylcarbamoylamino)-2-hydroxypropanoic acid
CID 114136387
2-(4-cyclohexylbutanoylamino)acetic acid
CID 15704415
4-cyclopentyl-N-[3-(cyclopropylmethylamino)-2-hydroxypropyl]butanamide
CID 46199678
3-(4-cyclohexylbutanoylamino)propanoic acid
CID 43241269
4-(3-cyclohexylpropanoylamino)-2-hydroxybutanoic acid
CID 114006236
(2S)-2-hydroxy-3-(3-piperidin-3-ylpropanoylamino)propanoic acid
CID 107835993
(2R)-11-cycloheptyl-2-hydroxyundecanoic acid
CID 101288409
6-(4-cyclopentylbutanoylamino)hexanoic acid
CID 119220158
1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81361691

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid (CID 107833229) is (2S)-3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid is O=C(CCCC1CCCCC1)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid?
The InChIKey is LIFHCXNDJLCEGT-NSHDSACASA-N. The full InChI is InChI=1S/C13H23NO4/c15-11(13(17)18)9-14-12(16)8-4-7-10-5-2-1-3-6-10/h10-11,15H,1-9H2,(H,14,16)(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid?
(2S)-3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic 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 (2S)-3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid is sourced from PubChem (CID 107833229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).