2-(2H-tetrazol-5-ylamino)propanoic acid

C4H7N5O2 — CID 22229335

IUPAC2-(2H-tetrazol-5-ylamino)propanoic acid
SMILESCC(Nc1nn[nH]n1)C(=O)O
InChIInChI=1S/C4H7N5O2/c1-2(3(10)11)5-4-6-8-9-7-4/h2H,1H3,(H,10,11)(H2,5,6,7,8,9)
InChIKeyJKHPZKGODSIVNY-UHFFFAOYSA-N
MW157.13 g/mol
LogP-0.92
Rot. Bonds3

About 2-(2H-tetrazol-5-ylamino)propanoic acid

2-(2H-tetrazol-5-ylamino)propanoic acid (PubChem CID 22229335) has the molecular formula C4H7N5O2 and a molecular weight of 157.13 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-ylamino)propanoic acid.

Molecular Properties

Compound Name2-(2H-tetrazol-5-ylamino)propanoic acid
PubChem CID22229335
Molecular FormulaC4H7N5O2
Molecular Weight157.13 g/mol
Exact Mass157.06
IUPAC Name2-(2H-tetrazol-5-ylamino)propanoic acid
SMILESCC(Nc1nn[nH]n1)C(=O)O
InChIInChI=1S/C4H7N5O2/c1-2(3(10)11)5-4-6-8-9-7-4/h2H,1H3,(H,10,11)(H2,5,6,7,8,9)
InChIKeyJKHPZKGODSIVNY-UHFFFAOYSA-N
XLogP-0.92
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-ylamino)propanoic acid?
The IUPAC name of 2-(2H-tetrazol-5-ylamino)propanoic acid (CID 22229335) is 2-(2H-tetrazol-5-ylamino)propanoic acid.
What is the SMILES notation for 2-(2H-tetrazol-5-ylamino)propanoic acid?
The canonical SMILES for 2-(2H-tetrazol-5-ylamino)propanoic acid is CC(Nc1nn[nH]n1)C(=O)O.
What is the InChIKey of 2-(2H-tetrazol-5-ylamino)propanoic acid?
The InChIKey is JKHPZKGODSIVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O2/c1-2(3(10)11)5-4-6-8-9-7-4/h2H,1H3,(H,10,11)(H2,5,6,7,8,9).
What are the key properties of 2-(2H-tetrazol-5-ylamino)propanoic acid?
2-(2H-tetrazol-5-ylamino)propanoic acid has a molecular weight of 157.13 g/mol, XLogP of -0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-ylamino)propanoic acid is sourced from PubChem (CID 22229335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).