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

C6H11N5O2 — CID 63152120

IUPAC2-methyl-3-[(1-methyltetrazol-5-yl)amino]propanoic acid
SMILESCC(CNc1nnnn1C)C(=O)O
InChIInChI=1S/C6H11N5O2/c1-4(5(12)13)3-7-6-8-9-10-11(6)2/h4H,3H2,1-2H3,(H,12,13)(H,7,8,10)
InChIKeyDSLWZOHZHBSWSF-UHFFFAOYSA-N
MW185.19 g/mol
LogP-0.66
Rot. Bonds4

About 2-methyl-3-[(1-methyltetrazol-5-yl)amino]propanoic acid

2-methyl-3-[(1-methyltetrazol-5-yl)amino]propanoic acid (PubChem CID 63152120) has the molecular formula C6H11N5O2 and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-methyl-3-[(1-methyltetrazol-5-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(1-methyltetrazol-5-yl)amino]propanoic acid
PubChem CID63152120
Molecular FormulaC6H11N5O2
Molecular Weight185.19 g/mol
Exact Mass185.09
IUPAC Name2-methyl-3-[(1-methyltetrazol-5-yl)amino]propanoic acid
SMILESCC(CNc1nnnn1C)C(=O)O
InChIInChI=1S/C6H11N5O2/c1-4(5(12)13)3-7-6-8-9-10-11(6)2/h4H,3H2,1-2H3,(H,12,13)(H,7,8,10)
InChIKeyDSLWZOHZHBSWSF-UHFFFAOYSA-N
XLogP-0.66
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-methyltetrazol-5-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(1-methyltetrazol-5-yl)amino]propanoic acid (CID 63152120) is 2-methyl-3-[(1-methyltetrazol-5-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(1-methyltetrazol-5-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(1-methyltetrazol-5-yl)amino]propanoic acid is CC(CNc1nnnn1C)C(=O)O.
What is the InChIKey of 2-methyl-3-[(1-methyltetrazol-5-yl)amino]propanoic acid?
The InChIKey is DSLWZOHZHBSWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2/c1-4(5(12)13)3-7-6-8-9-10-11(6)2/h4H,3H2,1-2H3,(H,12,13)(H,7,8,10).
What are the key properties of 2-methyl-3-[(1-methyltetrazol-5-yl)amino]propanoic acid?
2-methyl-3-[(1-methyltetrazol-5-yl)amino]propanoic acid has a molecular weight of 185.19 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-methyltetrazol-5-yl)amino]propanoic acid is sourced from PubChem (CID 63152120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).