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

C12H15NO6 — CID 43357821

IUPAC2-[(2,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid
SMILESCOc1ccc(OC)c(C(=O)NC(CO)C(=O)O)c1
InChIInChI=1S/C12H15NO6/c1-18-7-3-4-10(19-2)8(5-7)11(15)13-9(6-14)12(16)17/h3-5,9,14H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyLFHOEMNXDZNOIH-UHFFFAOYSA-N
MW269.25 g/mol
LogP-0.12
Rot. Bonds6

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

2-[(2,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid (PubChem CID 43357821) has the molecular formula C12H15NO6 and a molecular weight of 269.25 g/mol. Its IUPAC name is 2-[(2,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[(2,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid
PubChem CID43357821
Molecular FormulaC12H15NO6
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name2-[(2,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid
SMILESCOc1ccc(OC)c(C(=O)NC(CO)C(=O)O)c1
InChIInChI=1S/C12H15NO6/c1-18-7-3-4-10(19-2)8(5-7)11(15)13-9(6-14)12(16)17/h3-5,9,14H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyLFHOEMNXDZNOIH-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

2-[(2,5-dimethoxybenzoyl)amino]butanoic acid
CID 43387399
2-[(2,5-dimethoxybenzoyl)amino]hexanoic acid
CID 43387107
(2R)-3-hydroxy-2-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid
CID 80751071
(2S)-2-[(2,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137607
(2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61181766
2-[(2,4-dimethoxybenzoyl)amino]butanoic acid
CID 43387212
2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 62480344
methyl 3-hydroxy-2-[(2-hydroxy-5-methoxybenzoyl)amino]propanoate
CID 43422798
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
2,5-dimethoxy-N-[(S)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 9118748
(2S)-2-[(5-fluoro-2-methoxybenzoyl)amino]butanoic acid
CID 129414819
N-but-3-yn-2-yl-2,5-dimethoxybenzamide
CID 114389664

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[(2,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid (CID 43357821) is 2-[(2,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[(2,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[(2,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid is COc1ccc(OC)c(C(=O)NC(CO)C(=O)O)c1.
What is the InChIKey of 2-[(2,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid?
The InChIKey is LFHOEMNXDZNOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6/c1-18-7-3-4-10(19-2)8(5-7)11(15)13-9(6-14)12(16)17/h3-5,9,14H,6H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(2,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid?
2-[(2,5-dimethoxybenzoyl)amino]-3-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 2-[(2,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 43357821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).