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

C6H11N5O2 — CID 63152079

IUPAC2-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)c1nnnn1C
InChIInChI=1S/C6H11N5O2/c1-4(5(12)13)10(2)6-7-8-9-11(6)3/h4H,1-3H3,(H,12,13)
InChIKeyYIUZGRCIGZYWGR-UHFFFAOYSA-N
MW185.19 g/mol
LogP-0.88
Rot. Bonds3

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

2-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid (PubChem CID 63152079) has the molecular formula C6H11N5O2 and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid
PubChem CID63152079
Molecular FormulaC6H11N5O2
Molecular Weight185.19 g/mol
Exact Mass185.09
IUPAC Name2-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)c1nnnn1C
InChIInChI=1S/C6H11N5O2/c1-4(5(12)13)10(2)6-7-8-9-11(6)3/h4H,1-3H3,(H,12,13)
InChIKeyYIUZGRCIGZYWGR-UHFFFAOYSA-N
XLogP-0.88
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid (CID 63152079) is 2-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid is CC(C(=O)O)N(C)c1nnnn1C.
What is the InChIKey of 2-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid?
The InChIKey is YIUZGRCIGZYWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2/c1-4(5(12)13)10(2)6-7-8-9-11(6)3/h4H,1-3H3,(H,12,13).
What are the key properties of 2-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid?
2-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid has a molecular weight of 185.19 g/mol, XLogP of -0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid is sourced from PubChem (CID 63152079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).