methyl 2-[(3,5-dimethoxybenzoyl)amino]-3-hydroxybutanoate

C14H19NO6 — CID 85159268

IUPACmethyl 2-[(3,5-dimethoxybenzoyl)amino]-3-hydroxybutanoate
SMILESCOC(=O)C(NC(=O)c1cc(OC)cc(OC)c1)C(C)O
InChIInChI=1S/C14H19NO6/c1-8(16)12(14(18)21-4)15-13(17)9-5-10(19-2)7-11(6-9)20-3/h5-8,12,16H,1-4H3,(H,15,17)
InChIKeyFKOWBJPFKRYECB-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.36
Rot. Bonds6

About methyl 2-[(3,5-dimethoxybenzoyl)amino]-3-hydroxybutanoate

methyl 2-[(3,5-dimethoxybenzoyl)amino]-3-hydroxybutanoate (PubChem CID 85159268) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl 2-[(3,5-dimethoxybenzoyl)amino]-3-hydroxybutanoate.

Molecular Properties

Compound Namemethyl 2-[(3,5-dimethoxybenzoyl)amino]-3-hydroxybutanoate
PubChem CID85159268
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Namemethyl 2-[(3,5-dimethoxybenzoyl)amino]-3-hydroxybutanoate
SMILESCOC(=O)C(NC(=O)c1cc(OC)cc(OC)c1)C(C)O
InChIInChI=1S/C14H19NO6/c1-8(16)12(14(18)21-4)15-13(17)9-5-10(19-2)7-11(6-9)20-3/h5-8,12,16H,1-4H3,(H,15,17)
InChIKeyFKOWBJPFKRYECB-UHFFFAOYSA-N
XLogP0.36
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S,3R)-3-hydroxy-2-[(4-methoxybenzoyl)amino]butanoate
CID 11230931
methyl (2S,3S)-2-[(3,5-dichlorobenzoyl)amino]-3-hydroxybutanoate
CID 124571933
methyl 3-hydroxy-2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]butanoate
CID 18734716
methyl (2R,3S)-2-[(3,5-dinitrobenzoyl)amino]-3-hydroxybutanoate
CID 11759213
2-methylprop-2-enyl (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
CID 42161531
(4-methoxyphenyl)methyl (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate
CID 16577363
N-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 75440136
diethyl 2-[(3,5-dimethoxybenzoyl)amino]propanedioate
CID 33240158
N-(1-cyano-2-methylpropyl)-3,5-dimethoxybenzamide
CID 63931261
N-(1-amino-4-methylpentan-2-yl)-3,5-dimethoxybenzamide
CID 63754722
2-[[2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid
CID 119359079
3-bromo-5-methoxy-N-propan-2-ylbenzamide
CID 138985588

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3,5-dimethoxybenzoyl)amino]-3-hydroxybutanoate?
The IUPAC name of methyl 2-[(3,5-dimethoxybenzoyl)amino]-3-hydroxybutanoate (CID 85159268) is methyl 2-[(3,5-dimethoxybenzoyl)amino]-3-hydroxybutanoate.
What is the SMILES notation for methyl 2-[(3,5-dimethoxybenzoyl)amino]-3-hydroxybutanoate?
The canonical SMILES for methyl 2-[(3,5-dimethoxybenzoyl)amino]-3-hydroxybutanoate is COC(=O)C(NC(=O)c1cc(OC)cc(OC)c1)C(C)O.
What is the InChIKey of methyl 2-[(3,5-dimethoxybenzoyl)amino]-3-hydroxybutanoate?
The InChIKey is FKOWBJPFKRYECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-8(16)12(14(18)21-4)15-13(17)9-5-10(19-2)7-11(6-9)20-3/h5-8,12,16H,1-4H3,(H,15,17).
What are the key properties of methyl 2-[(3,5-dimethoxybenzoyl)amino]-3-hydroxybutanoate?
methyl 2-[(3,5-dimethoxybenzoyl)amino]-3-hydroxybutanoate has a molecular weight of 297.31 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3,5-dimethoxybenzoyl)amino]-3-hydroxybutanoate is sourced from PubChem (CID 85159268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).