4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybutanoic acid

C13H17NO6 — CID 107832382

IUPAC4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybutanoic acid
SMILESCOc1cc(OC)cc(C(=O)NCCC(O)C(=O)O)c1
InChIInChI=1S/C13H17NO6/c1-19-9-5-8(6-10(7-9)20-2)12(16)14-4-3-11(15)13(17)18/h5-7,11,15H,3-4H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyLRJUVHVMXAQKHS-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.27
Rot. Bonds7

About 4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybutanoic acid

4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybutanoic acid (PubChem CID 107832382) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is 4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybutanoic acid
PubChem CID107832382
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybutanoic acid
SMILESCOc1cc(OC)cc(C(=O)NCCC(O)C(=O)O)c1
InChIInChI=1S/C13H17NO6/c1-19-9-5-8(6-10(7-9)20-2)12(16)14-4-3-11(15)13(17)18/h5-7,11,15H,3-4H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyLRJUVHVMXAQKHS-UHFFFAOYSA-N
XLogP0.27
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-dimethoxybenzoyl)amino]-2-methylbutanoic acid
CID 80539032
3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66167276
N-(3-hydroxy-4,4-dimethylpentyl)-3,5-dimethoxybenzamide
CID 90523388
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
N-(3-amino-4-methoxybutyl)-3,5-dimethoxybenzamide
CID 106243059
(2S)-4-[(3,5-dichlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 107834723
3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663294
2-hydroxy-4-[(3,4,5-trifluorobenzoyl)amino]butanoic acid
CID 114006336
N-(4-chloropentyl)-3,5-dimethoxybenzamide
CID 106130065
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
N-(3-cyanopropyl)-3,5-dimethoxybenzamide
CID 62668308
4-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107832772

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybutanoic acid (CID 107832382) is 4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybutanoic acid is COc1cc(OC)cc(C(=O)NCCC(O)C(=O)O)c1.
What is the InChIKey of 4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybutanoic acid?
The InChIKey is LRJUVHVMXAQKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6/c1-19-9-5-8(6-10(7-9)20-2)12(16)14-4-3-11(15)13(17)18/h5-7,11,15H,3-4H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybutanoic acid?
4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybutanoic acid has a molecular weight of 283.28 g/mol, XLogP of 0.27, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107832382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).