3-[ethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid

C8H13N5O3 — CID 110498067

IUPAC3-[ethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Cc1nn[nH]n1
InChIInChI=1S/C8H13N5O3/c1-2-13(4-3-8(15)16)7(14)5-6-9-11-12-10-6/h2-5H2,1H3,(H,15,16)(H,9,10,11,12)
InChIKeyDGABZGUEPRHZBZ-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.93
Rot. Bonds6

About 3-[ethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid

3-[ethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid (PubChem CID 110498067) has the molecular formula C8H13N5O3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-[ethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid
PubChem CID110498067
Molecular FormulaC8H13N5O3
Molecular Weight227.22 g/mol
Exact Mass227.10
IUPAC Name3-[ethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Cc1nn[nH]n1
InChIInChI=1S/C8H13N5O3/c1-2-13(4-3-8(15)16)7(14)5-6-9-11-12-10-6/h2-5H2,1H3,(H,15,16)(H,9,10,11,12)
InChIKeyDGABZGUEPRHZBZ-UHFFFAOYSA-N
XLogP-0.93
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[ethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic 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-[ethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid (CID 110498067) is 3-[ethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)Cc1nn[nH]n1.
What is the InChIKey of 3-[ethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid?
The InChIKey is DGABZGUEPRHZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3/c1-2-13(4-3-8(15)16)7(14)5-6-9-11-12-10-6/h2-5H2,1H3,(H,15,16)(H,9,10,11,12).
What are the key properties of 3-[ethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid?
3-[ethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid has a molecular weight of 227.22 g/mol, XLogP of -0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 110498067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).