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

C7H11N5O3 — CID 110496475

IUPAC3-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Cc1nn[nH]n1
InChIInChI=1S/C7H11N5O3/c1-12(3-2-7(14)15)6(13)4-5-8-10-11-9-5/h2-4H2,1H3,(H,14,15)(H,8,9,10,11)
InChIKeyCSRPKGFJAYQPQZ-UHFFFAOYSA-N
MW213.20 g/mol
LogP-1.32
Rot. Bonds5

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

3-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid (PubChem CID 110496475) has the molecular formula C7H11N5O3 and a molecular weight of 213.20 g/mol. Its IUPAC name is 3-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid
PubChem CID110496475
Molecular FormulaC7H11N5O3
Molecular Weight213.20 g/mol
Exact Mass213.09
IUPAC Name3-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)Cc1nn[nH]n1
InChIInChI=1S/C7H11N5O3/c1-12(3-2-7(14)15)6(13)4-5-8-10-11-9-5/h2-4H2,1H3,(H,14,15)(H,8,9,10,11)
InChIKeyCSRPKGFJAYQPQZ-UHFFFAOYSA-N
XLogP-1.32
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid (CID 110496475) is 3-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid is CN(CCC(=O)O)C(=O)Cc1nn[nH]n1.
What is the InChIKey of 3-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid?
The InChIKey is CSRPKGFJAYQPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3/c1-12(3-2-7(14)15)6(13)4-5-8-10-11-9-5/h2-4H2,1H3,(H,14,15)(H,8,9,10,11).
What are the key properties of 3-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid?
3-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid has a molecular weight of 213.20 g/mol, XLogP of -1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-(2H-tetrazol-5-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 110496475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).