3-[(1-methyltetrazol-5-yl)amino]propanoic acid

C5H9N5O2 — CID 63151892

IUPAC3-[(1-methyltetrazol-5-yl)amino]propanoic acid
SMILESCn1nnnc1NCCC(=O)O
InChIInChI=1S/C5H9N5O2/c1-10-5(7-8-9-10)6-3-2-4(11)12/h2-3H2,1H3,(H,11,12)(H,6,7,9)
InChIKeyVMAPBBZYCASHBP-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.90
Rot. Bonds4

About 3-[(1-methyltetrazol-5-yl)amino]propanoic acid

3-[(1-methyltetrazol-5-yl)amino]propanoic acid (PubChem CID 63151892) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is 3-[(1-methyltetrazol-5-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(1-methyltetrazol-5-yl)amino]propanoic acid
PubChem CID63151892
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC Name3-[(1-methyltetrazol-5-yl)amino]propanoic acid
SMILESCn1nnnc1NCCC(=O)O
InChIInChI=1S/C5H9N5O2/c1-10-5(7-8-9-10)6-3-2-4(11)12/h2-3H2,1H3,(H,11,12)(H,6,7,9)
InChIKeyVMAPBBZYCASHBP-UHFFFAOYSA-N
XLogP-0.90
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyltetrazol-5-yl)amino]propanoic acid?
The IUPAC name of 3-[(1-methyltetrazol-5-yl)amino]propanoic acid (CID 63151892) is 3-[(1-methyltetrazol-5-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(1-methyltetrazol-5-yl)amino]propanoic acid?
The canonical SMILES for 3-[(1-methyltetrazol-5-yl)amino]propanoic acid is Cn1nnnc1NCCC(=O)O.
What is the InChIKey of 3-[(1-methyltetrazol-5-yl)amino]propanoic acid?
The InChIKey is VMAPBBZYCASHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O2/c1-10-5(7-8-9-10)6-3-2-4(11)12/h2-3H2,1H3,(H,11,12)(H,6,7,9).
What are the key properties of 3-[(1-methyltetrazol-5-yl)amino]propanoic acid?
3-[(1-methyltetrazol-5-yl)amino]propanoic acid has a molecular weight of 171.16 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyltetrazol-5-yl)amino]propanoic acid is sourced from PubChem (CID 63151892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).