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

C7H13N5O2 — CID 63152586

IUPAC2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid
SMILESCC(CN(C)c1nnnn1C)C(=O)O
InChIInChI=1S/C7H13N5O2/c1-5(6(13)14)4-11(2)7-8-9-10-12(7)3/h5H,4H2,1-3H3,(H,13,14)
InChIKeySEWMFMUWIODPNH-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.63
Rot. Bonds4

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

2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid (PubChem CID 63152586) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid
PubChem CID63152586
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid
SMILESCC(CN(C)c1nnnn1C)C(=O)O
InChIInChI=1S/C7H13N5O2/c1-5(6(13)14)4-11(2)7-8-9-10-12(7)3/h5H,4H2,1-3H3,(H,13,14)
InChIKeySEWMFMUWIODPNH-UHFFFAOYSA-N
XLogP-0.63
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid (CID 63152586) is 2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid is CC(CN(C)c1nnnn1C)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid?
The InChIKey is SEWMFMUWIODPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-5(6(13)14)4-11(2)7-8-9-10-12(7)3/h5H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid?
2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid has a molecular weight of 199.21 g/mol, XLogP of -0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(1-methyltetrazol-5-yl)amino]propanoic acid is sourced from PubChem (CID 63152586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).