2-(2H-benzotriazole-5-carbonylamino)-4-hydroxybutanoic acid

C11H12N4O4 — CID 61243320

IUPAC2-(2H-benzotriazole-5-carbonylamino)-4-hydroxybutanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C11H12N4O4/c16-4-3-8(11(18)19)12-10(17)6-1-2-7-9(5-6)14-15-13-7/h1-2,5,8,16H,3-4H2,(H,12,17)(H,18,19)(H,13,14,15)
InChIKeyUDNVLHHPSRNLNA-UHFFFAOYSA-N
MW264.24 g/mol
LogP-0.48
Rot. Bonds5

About 2-(2H-benzotriazole-5-carbonylamino)-4-hydroxybutanoic acid

2-(2H-benzotriazole-5-carbonylamino)-4-hydroxybutanoic acid (PubChem CID 61243320) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 2-(2H-benzotriazole-5-carbonylamino)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-(2H-benzotriazole-5-carbonylamino)-4-hydroxybutanoic acid
PubChem CID61243320
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name2-(2H-benzotriazole-5-carbonylamino)-4-hydroxybutanoic acid
SMILESO=C(NC(CCO)C(=O)O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C11H12N4O4/c16-4-3-8(11(18)19)12-10(17)6-1-2-7-9(5-6)14-15-13-7/h1-2,5,8,16H,3-4H2,(H,12,17)(H,18,19)(H,13,14,15)
InChIKeyUDNVLHHPSRNLNA-UHFFFAOYSA-N
XLogP-0.48
TPSA128.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-(2H-benzotriazole-5-carbonylamino)-4-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

(2S)-4-hydroxy-2-(quinoline-6-carbonylamino)butanoic acid
CID 107821934
2-[(3,4-difluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61242712
2-[(3,4-dimethylbenzoyl)amino]-4-hydroxybutanoic acid
CID 61243816
(2R)-2-[(2-amino-1,3-benzothiazole-6-carbonyl)amino]-4-hydroxybutanoic acid
CID 107825033
4-hydroxy-2-[(4-hydroxybenzoyl)amino]butanoic acid
CID 61243635
2-[(3-bromobenzoyl)amino]-4-hydroxybutanoic acid
CID 61243644
(2S)-4-hydroxy-2-[(3-iodobenzoyl)amino]butanoic acid
CID 107821988
N-(1-hydroxy-3-methylbutan-2-yl)-2H-benzotriazole-5-carboxamide
CID 79252072
4-hydroxy-2-[(4-methylbenzoyl)amino]butanoic acid
CID 61243079
(2R)-2-[(4-bromobenzoyl)amino]-4-hydroxybutanoic acid
CID 107823375
(2S)-2-[(3,4-dimethoxybenzoyl)amino]-4-hydroxybutanoic acid
CID 107822287
(2R)-2-[(4-amino-3-chlorobenzoyl)amino]-4-hydroxybutanoic acid
CID 107825070

Frequently Asked Questions

What is the IUPAC name of 2-(2H-benzotriazole-5-carbonylamino)-4-hydroxybutanoic acid?
The IUPAC name of 2-(2H-benzotriazole-5-carbonylamino)-4-hydroxybutanoic acid (CID 61243320) is 2-(2H-benzotriazole-5-carbonylamino)-4-hydroxybutanoic acid.
What is the SMILES notation for 2-(2H-benzotriazole-5-carbonylamino)-4-hydroxybutanoic acid?
The canonical SMILES for 2-(2H-benzotriazole-5-carbonylamino)-4-hydroxybutanoic acid is O=C(NC(CCO)C(=O)O)c1ccc2n[nH]nc2c1.
What is the InChIKey of 2-(2H-benzotriazole-5-carbonylamino)-4-hydroxybutanoic acid?
The InChIKey is UDNVLHHPSRNLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c16-4-3-8(11(18)19)12-10(17)6-1-2-7-9(5-6)14-15-13-7/h1-2,5,8,16H,3-4H2,(H,12,17)(H,18,19)(H,13,14,15).
What are the key properties of 2-(2H-benzotriazole-5-carbonylamino)-4-hydroxybutanoic acid?
2-(2H-benzotriazole-5-carbonylamino)-4-hydroxybutanoic acid has a molecular weight of 264.24 g/mol, XLogP of -0.48, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-benzotriazole-5-carbonylamino)-4-hydroxybutanoic acid is sourced from PubChem (CID 61243320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).