2-amino-3-(2H-tetrazol-5-yl)propanoic acid

Substructure search Find similar structures

Basic information

CAS: 89765-60-6
Standard SMILES: NC(Cc1nn[nH]n1)C(=O)O
InChIKey: UHDMAEPGMOIEHH-UHFFFAOYSA-N
Molecular formula: C4H7N5O2
Average molar mass: 157.13 g/mol
Monoisotopic mass: 157.05997448

Names & identifiers

Preferred name: 2-amino-3-(2H-tetrazol-5-yl)propanoic acid
IUPAC: 2-amino-3-(2H-tetrazol-5-yl)propanoic acid

Names & synonyms

NSC17372389765-60-63-(1H-tetraazol-5-yl)alanine2-amino-3-(2H-tetrazol-5-yl)propanoic acidNSC-173723alpha-Amino-1H-tetrazole-5-propanoic acidSCHEMBL1891367SCHEMBL52920273-(2H-Tetrazol-5-yl)alanine2-amino-3-(1H-1,2,3,4-tetrazol-5-yl)propanoic acidCHEMBL1992665DTXSID00306034

Show more names

UHDMAEPGMOIEHH-UHFFFAOYSA-NMFCD20647852a-Amino-1H-tetrazole-5-propanoic acidNCI60_001403amino-3-(2H-tetrazol-5-yl)propanoic acidDS-012902EN300-1826080

Database identifiers

CAS: 89765-60-6
PubChem CID: 299876
DTXSID: DTXSID00306034
ChEMBL: CHEMBL1992665
Nikkaji: J1.844.742H

Properties

Computed structural properties

XLogP: -3.8
Topological polar surface area: 118 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 151

Related reactions

1 records

New reaction record

HRID 1957562As reactantuspto-grants-1998_07

Compound notes

Loading…