(2R)-2-methyl-4-(2H-tetrazole-5-carbonylamino)butanoic acid

C7H11N5O3 — CID 70216740

IUPAC(2R)-2-methyl-4-(2H-tetrazole-5-carbonylamino)butanoic acid
SMILESC[C@H](CCNC(=O)c1nn[nH]n1)C(=O)O
InChIInChI=1S/C7H11N5O3/c1-4(7(14)15)2-3-8-6(13)5-9-11-12-10-5/h4H,2-3H2,1H3,(H,8,13)(H,14,15)(H,9,10,11,12)/t4-/m1/s1
InChIKeyNXLIRVCFNWXCPS-SCSAIBSYSA-N
MW213.20 g/mol
LogP-0.96
Rot. Bonds5

About (2R)-2-methyl-4-(2H-tetrazole-5-carbonylamino)butanoic acid

(2R)-2-methyl-4-(2H-tetrazole-5-carbonylamino)butanoic acid (PubChem CID 70216740) has the molecular formula C7H11N5O3 and a molecular weight of 213.20 g/mol. Its IUPAC name is (2R)-2-methyl-4-(2H-tetrazole-5-carbonylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-2-methyl-4-(2H-tetrazole-5-carbonylamino)butanoic acid
PubChem CID70216740
Molecular FormulaC7H11N5O3
Molecular Weight213.20 g/mol
Exact Mass213.09
IUPAC Name(2R)-2-methyl-4-(2H-tetrazole-5-carbonylamino)butanoic acid
SMILESC[C@H](CCNC(=O)c1nn[nH]n1)C(=O)O
InChIInChI=1S/C7H11N5O3/c1-4(7(14)15)2-3-8-6(13)5-9-11-12-10-5/h4H,2-3H2,1H3,(H,8,13)(H,14,15)(H,9,10,11,12)/t4-/m1/s1
InChIKeyNXLIRVCFNWXCPS-SCSAIBSYSA-N
XLogP-0.96
TPSA120.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-2-methyl-4-(2H-tetrazole-5-carbonylamino)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 (2R)-2-methyl-4-(2H-tetrazole-5-carbonylamino)butanoic acid?
The IUPAC name of (2R)-2-methyl-4-(2H-tetrazole-5-carbonylamino)butanoic acid (CID 70216740) is (2R)-2-methyl-4-(2H-tetrazole-5-carbonylamino)butanoic acid.
What is the SMILES notation for (2R)-2-methyl-4-(2H-tetrazole-5-carbonylamino)butanoic acid?
The canonical SMILES for (2R)-2-methyl-4-(2H-tetrazole-5-carbonylamino)butanoic acid is C[C@H](CCNC(=O)c1nn[nH]n1)C(=O)O.
What is the InChIKey of (2R)-2-methyl-4-(2H-tetrazole-5-carbonylamino)butanoic acid?
The InChIKey is NXLIRVCFNWXCPS-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H11N5O3/c1-4(7(14)15)2-3-8-6(13)5-9-11-12-10-5/h4H,2-3H2,1H3,(H,8,13)(H,14,15)(H,9,10,11,12)/t4-/m1/s1.
What are the key properties of (2R)-2-methyl-4-(2H-tetrazole-5-carbonylamino)butanoic acid?
(2R)-2-methyl-4-(2H-tetrazole-5-carbonylamino)butanoic acid has a molecular weight of 213.20 g/mol, XLogP of -0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-(2H-tetrazole-5-carbonylamino)butanoic acid is sourced from PubChem (CID 70216740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).