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

C10H11NO6 — CID 107721718

IUPAC3-[(2,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid
SMILESO=C(NCC(O)C(=O)O)c1cc(O)ccc1O
InChIInChI=1S/C10H11NO6/c12-5-1-2-7(13)6(3-5)9(15)11-4-8(14)10(16)17/h1-3,8,12-14H,4H2,(H,11,15)(H,16,17)
InChIKeyNMZKTEWNLZQODL-UHFFFAOYSA-N
MW241.20 g/mol
LogP-0.73
Rot. Bonds4

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

3-[(2,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid (PubChem CID 107721718) has the molecular formula C10H11NO6 and a molecular weight of 241.20 g/mol. Its IUPAC name is 3-[(2,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(2,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid
PubChem CID107721718
Molecular FormulaC10H11NO6
Molecular Weight241.20 g/mol
Exact Mass241.06
IUPAC Name3-[(2,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid
SMILESO=C(NCC(O)C(=O)O)c1cc(O)ccc1O
InChIInChI=1S/C10H11NO6/c12-5-1-2-7(13)6(3-5)9(15)11-4-8(14)10(16)17/h1-3,8,12-14H,4H2,(H,11,15)(H,16,17)
InChIKeyNMZKTEWNLZQODL-UHFFFAOYSA-N
XLogP-0.73
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-0.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-hydroxy-3-[(2-hydroxy-5-methoxybenzoyl)amino]propanoic acid
CID 107833807
N-(2,2-dicyclopropylethyl)-2,5-dihydroxybenzamide
CID 107723246
2,5-dihydroxy-N-(2-methoxypropyl)benzamide
CID 107723939
(2S)-3-[(4-bromo-2-hydroxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107833831
N-(4-chloro-2-methylbutyl)-2,5-dihydroxybenzamide
CID 107725987
3-[(3,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107702673
(2S)-2-hydroxy-3-[[2-(4-hydroxyphenyl)acetyl]amino]propanoic acid
CID 107833634
N-(2-fluoroethyl)-2,5-dihydroxybenzamide
CID 130504504
2-[(2-carboxy-2-hydroxyethyl)carbamoyl]benzoic acid
CID 151828721
2,5-dihydroxy-N-(3-methyl-2-oxobutyl)benzamide
CID 107722175
N-(2,5-dihydroxybenzoyl)-2,5-dihydroxybenzamide
CID 91463347
2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide
CID 107725066

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(2,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid (CID 107721718) is 3-[(2,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(2,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(2,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid is O=C(NCC(O)C(=O)O)c1cc(O)ccc1O.
What is the InChIKey of 3-[(2,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid?
The InChIKey is NMZKTEWNLZQODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO6/c12-5-1-2-7(13)6(3-5)9(15)11-4-8(14)10(16)17/h1-3,8,12-14H,4H2,(H,11,15)(H,16,17).
What are the key properties of 3-[(2,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid?
3-[(2,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid has a molecular weight of 241.20 g/mol, XLogP of -0.73, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dihydroxybenzoyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 107721718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).