3-hydroxy-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid

C7H11N5O4 — CID 24711091

IUPAC3-hydroxy-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid
SMILESCC(O)C(NC(=O)Cn1cnnn1)C(=O)O
InChIInChI=1S/C7H11N5O4/c1-4(13)6(7(15)16)9-5(14)2-12-3-8-10-11-12/h3-4,6,13H,2H2,1H3,(H,9,14)(H,15,16)
InChIKeyKJZVZAVKELLQQQ-UHFFFAOYSA-N
MW229.20 g/mol
LogP-2.38
Rot. Bonds5

About 3-hydroxy-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid

3-hydroxy-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid (PubChem CID 24711091) has the molecular formula C7H11N5O4 and a molecular weight of 229.20 g/mol. Its IUPAC name is 3-hydroxy-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid
PubChem CID24711091
Molecular FormulaC7H11N5O4
Molecular Weight229.20 g/mol
Exact Mass229.08
IUPAC Name3-hydroxy-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid
SMILESCC(O)C(NC(=O)Cn1cnnn1)C(=O)O
InChIInChI=1S/C7H11N5O4/c1-4(13)6(7(15)16)9-5(14)2-12-3-8-10-11-12/h3-4,6,13H,2H2,1H3,(H,9,14)(H,15,16)
InChIKeyKJZVZAVKELLQQQ-UHFFFAOYSA-N
XLogP-2.38
TPSA130.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 5-2.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-hydroxy-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid (CID 24711091) is 3-hydroxy-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid is CC(O)C(NC(=O)Cn1cnnn1)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid?
The InChIKey is KJZVZAVKELLQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O4/c1-4(13)6(7(15)16)9-5(14)2-12-3-8-10-11-12/h3-4,6,13H,2H2,1H3,(H,9,14)(H,15,16).
What are the key properties of 3-hydroxy-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid?
3-hydroxy-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid has a molecular weight of 229.20 g/mol, XLogP of -2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[2-(tetrazol-1-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 24711091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).