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

C4H7N5O2 — CID 70146935

IUPAC(2R)-2-(2H-tetrazol-5-ylamino)propanoic acid
SMILESC[C@@H](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)/t2-/m1/s1
InChIKeyJKHPZKGODSIVNY-UWTATZPHSA-N
MW157.13 g/mol
LogP-0.92
Rot. Bonds3

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

(2R)-2-(2H-tetrazol-5-ylamino)propanoic acid (PubChem CID 70146935) has the molecular formula C4H7N5O2 and a molecular weight of 157.13 g/mol. Its IUPAC name is (2R)-2-(2H-tetrazol-5-ylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(2H-tetrazol-5-ylamino)propanoic acid
PubChem CID70146935
Molecular FormulaC4H7N5O2
Molecular Weight157.13 g/mol
Exact Mass157.06
IUPAC Name(2R)-2-(2H-tetrazol-5-ylamino)propanoic acid
SMILESC[C@@H](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)/t2-/m1/s1
InChIKeyJKHPZKGODSIVNY-UWTATZPHSA-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 (2R)-2-(2H-tetrazol-5-ylamino)propanoic acid?
The IUPAC name of (2R)-2-(2H-tetrazol-5-ylamino)propanoic acid (CID 70146935) is (2R)-2-(2H-tetrazol-5-ylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(2H-tetrazol-5-ylamino)propanoic acid?
The canonical SMILES for (2R)-2-(2H-tetrazol-5-ylamino)propanoic acid is C[C@@H](Nc1nn[nH]n1)C(=O)O.
What is the InChIKey of (2R)-2-(2H-tetrazol-5-ylamino)propanoic acid?
The InChIKey is JKHPZKGODSIVNY-UWTATZPHSA-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)/t2-/m1/s1.
What are the key properties of (2R)-2-(2H-tetrazol-5-ylamino)propanoic acid?
(2R)-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 (2R)-2-(2H-tetrazol-5-ylamino)propanoic acid is sourced from PubChem (CID 70146935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).