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

C12H15NO6 — CID 66167276

IUPAC3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
SMILESCOc1cc(OC)cc(C(=O)NCC(O)C(=O)O)c1
InChIInChI=1S/C12H15NO6/c1-18-8-3-7(4-9(5-8)19-2)11(15)13-6-10(14)12(16)17/h3-5,10,14H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyAMDVDGWVARIYOK-UHFFFAOYSA-N
MW269.25 g/mol
LogP-0.12
Rot. Bonds6

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

3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid (PubChem CID 66167276) has the molecular formula C12H15NO6 and a molecular weight of 269.25 g/mol. Its IUPAC name is 3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
PubChem CID66167276
Molecular FormulaC12H15NO6
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
SMILESCOc1cc(OC)cc(C(=O)NCC(O)C(=O)O)c1
InChIInChI=1S/C12H15NO6/c1-18-8-3-7(4-9(5-8)19-2)11(15)13-6-10(14)12(16)17/h3-5,10,14H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyAMDVDGWVARIYOK-UHFFFAOYSA-N
XLogP-0.12
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-dimethoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107832382
3-[(4-bromo-3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66167441
3-[(3,5-dimethylbenzoyl)amino]-2-hydroxypropanoic acid
CID 66165173
N-(2-hydroxy-3-phenylpropyl)-3,5-dimethoxybenzamide
CID 56765275
3-[(3,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107702673
3,5-dimethoxy-N-(2-phenylpropyl)benzamide
CID 42890141
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
N-(3-amino-2-methylpropyl)-3,5-dimethoxybenzamide;hydrochloride
CID 119996429
4-[(3,5-dimethoxybenzoyl)amino]-2-methylbutanoic acid
CID 80539032
(2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid
CID 107833807
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
N-(2-aminopentyl)-3,5-dimethoxybenzamide
CID 115737673

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid (CID 66167276) is 3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid is COc1cc(OC)cc(C(=O)NCC(O)C(=O)O)c1.
What is the InChIKey of 3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid?
The InChIKey is AMDVDGWVARIYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6/c1-18-8-3-7(4-9(5-8)19-2)11(15)13-6-10(14)12(16)17/h3-5,10,14H,6H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid?
3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid has a molecular weight of 269.25 g/mol, XLogP of -0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66167276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).