(2S,3R)-2-[(4-azido-2-hydroxybenzoyl)amino]-3-hydroxybutanoic acid

C11H12N4O5 — CID 90332849

IUPAC(2S,3R)-2-[(4-azido-2-hydroxybenzoyl)amino]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)c1ccc(N=[N+]=[N-])cc1O)C(=O)O
InChIInChI=1S/C11H12N4O5/c1-5(16)9(11(19)20)13-10(18)7-3-2-6(14-15-12)4-8(7)17/h2-5,9,16-17H,1H3,(H,13,18)(H,19,20)/t5-,9+/m1/s1
InChIKeyDXLXJNJDUBYVFO-ANLVUFKYSA-N
MW280.24 g/mol
LogP0.90
Rot. Bonds5

About (2S,3R)-2-[(4-azido-2-hydroxybenzoyl)amino]-3-hydroxybutanoic acid

(2S,3R)-2-[(4-azido-2-hydroxybenzoyl)amino]-3-hydroxybutanoic acid (PubChem CID 90332849) has the molecular formula C11H12N4O5 and a molecular weight of 280.24 g/mol. Its IUPAC name is (2S,3R)-2-[(4-azido-2-hydroxybenzoyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-[(4-azido-2-hydroxybenzoyl)amino]-3-hydroxybutanoic acid
PubChem CID90332849
Molecular FormulaC11H12N4O5
Molecular Weight280.24 g/mol
Exact Mass280.08
IUPAC Name(2S,3R)-2-[(4-azido-2-hydroxybenzoyl)amino]-3-hydroxybutanoic acid
SMILESC[C@@H](O)[C@H](NC(=O)c1ccc(N=[N+]=[N-])cc1O)C(=O)O
InChIInChI=1S/C11H12N4O5/c1-5(16)9(11(19)20)13-10(18)7-3-2-6(14-15-12)4-8(7)17/h2-5,9,16-17H,1H3,(H,13,18)(H,19,20)/t5-,9+/m1/s1
InChIKeyDXLXJNJDUBYVFO-ANLVUFKYSA-N
XLogP0.90
TPSA155.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (2S,3R)-2-[(4-azido-2-hydroxybenzoyl)amino]-3-hydroxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-azido-2-hydroxybenzoyl)amino]hexanoic acid
CID 18767606
methyl 2-[(2-acetyloxy-4-azidobenzoyl)amino]-3-hydroxybutanoate
CID 90333151
(2R)-2-[(2,4-dihydroxybenzoyl)amino]-3-methylbutanoic acid
CID 30117592
(2S,3R)-2-[(2-chloro-4-methylbenzoyl)amino]-3-hydroxybutanoic acid
CID 106860703
2-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 24700633
(2S)-2-[(2,4-dihydroxybenzoyl)amino]-3-methylpentanoic acid
CID 61174647
3-hydroxy-2-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
CID 24697724
(2S,3R)-2-[[3-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl]benzoyl]amino]-3-hydroxybutanoic acid
CID 40571808
2-[(2-aminobenzoyl)amino]-3-hydroxybutanoic acid
CID 61213819
5-azido-2-methylphenol
CID 90382117
2-[(2-chloro-4-nitrobenzoyl)amino]-3-hydroxybutanoic acid
CID 43238714
(2S,3R)-2-[[2-bromo-5-(trifluoromethyl)benzoyl]amino]-3-hydroxybutanoic acid
CID 104965036

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(4-azido-2-hydroxybenzoyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of (2S,3R)-2-[(4-azido-2-hydroxybenzoyl)amino]-3-hydroxybutanoic acid (CID 90332849) is (2S,3R)-2-[(4-azido-2-hydroxybenzoyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for (2S,3R)-2-[(4-azido-2-hydroxybenzoyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for (2S,3R)-2-[(4-azido-2-hydroxybenzoyl)amino]-3-hydroxybutanoic acid is C[C@@H](O)[C@H](NC(=O)c1ccc(N=[N+]=[N-])cc1O)C(=O)O.
What is the InChIKey of (2S,3R)-2-[(4-azido-2-hydroxybenzoyl)amino]-3-hydroxybutanoic acid?
The InChIKey is DXLXJNJDUBYVFO-ANLVUFKYSA-N. The full InChI is InChI=1S/C11H12N4O5/c1-5(16)9(11(19)20)13-10(18)7-3-2-6(14-15-12)4-8(7)17/h2-5,9,16-17H,1H3,(H,13,18)(H,19,20)/t5-,9+/m1/s1.
What are the key properties of (2S,3R)-2-[(4-azido-2-hydroxybenzoyl)amino]-3-hydroxybutanoic acid?
(2S,3R)-2-[(4-azido-2-hydroxybenzoyl)amino]-3-hydroxybutanoic acid has a molecular weight of 280.24 g/mol, XLogP of 0.90, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(4-azido-2-hydroxybenzoyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 90332849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).