methyl 3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoate

C14H25NO4 — CID 103879246

IUPACmethyl 3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)CCCC1CCCCC1
InChIInChI=1S/C14H25NO4/c1-19-14(18)12(16)10-15-13(17)9-5-8-11-6-3-2-4-7-11/h11-12,16H,2-10H2,1H3,(H,15,17)
InChIKeyWAETYNXEQCHKKH-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.39
Rot. Bonds7

About methyl 3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoate

methyl 3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoate (PubChem CID 103879246) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl 3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoate
PubChem CID103879246
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namemethyl 3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)CCCC1CCCCC1
InChIInChI=1S/C14H25NO4/c1-19-14(18)12(16)10-15-13(17)9-5-8-11-6-3-2-4-7-11/h11-12,16H,2-10H2,1H3,(H,15,17)
InChIKeyWAETYNXEQCHKKH-UHFFFAOYSA-N
XLogP1.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid
CID 66166053
(2S)-3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoic acid
CID 107833229
4-cyclopentyl-N-[3-(cyclopropylmethylamino)-2-hydroxypropyl]butanamide
CID 46199678
6-[(2-hydroxy-3-methoxy-3-oxopropyl)amino]-6-oxohexanoic acid
CID 107214923
methyl 3-(decanoylamino)-2-hydroxypropanoate
CID 103957869
3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid
CID 66164999
N-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide
CID 64541698
2-(4-cyclohexylbutanoylamino)acetic acid
CID 15704415
4-cyclohexyl-N-(1-methoxypropan-2-yl)butanamide
CID 78785346
N-(3-aminopropyl)-4-cyclopentylbutanamide
CID 119409090
3-(4-cyclohexylbutanoylamino)propanoic acid
CID 43241269
3-cyclopentyl-N-(2-methylpropyl)propanamide
CID 918369

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoate?
The IUPAC name of methyl 3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoate (CID 103879246) is methyl 3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoate?
The canonical SMILES for methyl 3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)CCCC1CCCCC1.
What is the InChIKey of methyl 3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoate?
The InChIKey is WAETYNXEQCHKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-19-14(18)12(16)10-15-13(17)9-5-8-11-6-3-2-4-7-11/h11-12,16H,2-10H2,1H3,(H,15,17).
What are the key properties of methyl 3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoate?
methyl 3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoate has a molecular weight of 271.36 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-cyclohexylbutanoylamino)-2-hydroxypropanoate is sourced from PubChem (CID 103879246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).