4-hydroxy-2-[(2-hydroxy-4-methoxybenzoyl)amino]butanoic acid

C12H15NO6 — CID 61243996

IUPAC4-hydroxy-2-[(2-hydroxy-4-methoxybenzoyl)amino]butanoic acid
SMILESCOc1ccc(C(=O)NC(CCO)C(=O)O)c(O)c1
InChIInChI=1S/C12H15NO6/c1-19-7-2-3-8(10(15)6-7)11(16)13-9(4-5-14)12(17)18/h2-3,6,9,14-15H,4-5H2,1H3,(H,13,16)(H,17,18)
InChIKeyJPROECXLMHWBHP-UHFFFAOYSA-N
MW269.25 g/mol
LogP-0.03
Rot. Bonds6

About 4-hydroxy-2-[(2-hydroxy-4-methoxybenzoyl)amino]butanoic acid

4-hydroxy-2-[(2-hydroxy-4-methoxybenzoyl)amino]butanoic acid (PubChem CID 61243996) has the molecular formula C12H15NO6 and a molecular weight of 269.25 g/mol. Its IUPAC name is 4-hydroxy-2-[(2-hydroxy-4-methoxybenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(2-hydroxy-4-methoxybenzoyl)amino]butanoic acid
PubChem CID61243996
Molecular FormulaC12H15NO6
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name4-hydroxy-2-[(2-hydroxy-4-methoxybenzoyl)amino]butanoic acid
SMILESCOc1ccc(C(=O)NC(CCO)C(=O)O)c(O)c1
InChIInChI=1S/C12H15NO6/c1-19-7-2-3-8(10(15)6-7)11(16)13-9(4-5-14)12(17)18/h2-3,6,9,14-15H,4-5H2,1H3,(H,13,16)(H,17,18)
InChIKeyJPROECXLMHWBHP-UHFFFAOYSA-N
XLogP-0.03
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-hydroxy-4-methoxybenzoyl)amino]-5-methoxypentanoic acid
CID 81085345
2-[(2-hydroxy-4-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 24697031
(2S)-4-hydroxy-2-[(4-hydroxy-2-methylbenzoyl)amino]butanoic acid
CID 114004847
2-hydroxy-4-methoxy-N-(5-methylhexan-2-yl)benzamide
CID 43019441
(2R)-2-[(2,4-dihydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820519
4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid
CID 120703108
2-[(2,4-dimethoxybenzoyl)amino]-4-methoxybutanoic acid
CID 62480344
2-[(4-bromo-2-methoxybenzoyl)amino]-4-hydroxybutanoic acid
CID 113295962
(2R)-2-[(2-amino-4-methoxybenzoyl)amino]pentanoic acid
CID 103869949
2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide
CID 103944607
2-[(2-amino-4-methoxybenzoyl)amino]-4-methoxybutanoic acid
CID 115413154
(2S)-2-[[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzoyl]amino]-4-hydroxybutanoic acid
CID 90395237

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(2-hydroxy-4-methoxybenzoyl)amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[(2-hydroxy-4-methoxybenzoyl)amino]butanoic acid (CID 61243996) is 4-hydroxy-2-[(2-hydroxy-4-methoxybenzoyl)amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[(2-hydroxy-4-methoxybenzoyl)amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[(2-hydroxy-4-methoxybenzoyl)amino]butanoic acid is COc1ccc(C(=O)NC(CCO)C(=O)O)c(O)c1.
What is the InChIKey of 4-hydroxy-2-[(2-hydroxy-4-methoxybenzoyl)amino]butanoic acid?
The InChIKey is JPROECXLMHWBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6/c1-19-7-2-3-8(10(15)6-7)11(16)13-9(4-5-14)12(17)18/h2-3,6,9,14-15H,4-5H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 4-hydroxy-2-[(2-hydroxy-4-methoxybenzoyl)amino]butanoic acid?
4-hydroxy-2-[(2-hydroxy-4-methoxybenzoyl)amino]butanoic acid has a molecular weight of 269.25 g/mol, XLogP of -0.03, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(2-hydroxy-4-methoxybenzoyl)amino]butanoic acid is sourced from PubChem (CID 61243996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).