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

C8H15N5O2 — CID 65226801

IUPAC3-methyl-2-[[(1-methyltetrazol-5-yl)amino]methyl]butanoic acid
SMILESCC(C)C(CNc1nnnn1C)C(=O)O
InChIInChI=1S/C8H15N5O2/c1-5(2)6(7(14)15)4-9-8-10-11-12-13(8)3/h5-6H,4H2,1-3H3,(H,14,15)(H,9,10,12)
InChIKeyDRPKINBRNXNTJF-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.02
Rot. Bonds5

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

3-methyl-2-[[(1-methyltetrazol-5-yl)amino]methyl]butanoic acid (PubChem CID 65226801) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-methyl-2-[[(1-methyltetrazol-5-yl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[(1-methyltetrazol-5-yl)amino]methyl]butanoic acid
PubChem CID65226801
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name3-methyl-2-[[(1-methyltetrazol-5-yl)amino]methyl]butanoic acid
SMILESCC(C)C(CNc1nnnn1C)C(=O)O
InChIInChI=1S/C8H15N5O2/c1-5(2)6(7(14)15)4-9-8-10-11-12-13(8)3/h5-6H,4H2,1-3H3,(H,14,15)(H,9,10,12)
InChIKeyDRPKINBRNXNTJF-UHFFFAOYSA-N
XLogP-0.02
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[(1-methyltetrazol-5-yl)amino]methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[[(1-methyltetrazol-5-yl)amino]methyl]butanoic acid (CID 65226801) is 3-methyl-2-[[(1-methyltetrazol-5-yl)amino]methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[(1-methyltetrazol-5-yl)amino]methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[[(1-methyltetrazol-5-yl)amino]methyl]butanoic acid is CC(C)C(CNc1nnnn1C)C(=O)O.
What is the InChIKey of 3-methyl-2-[[(1-methyltetrazol-5-yl)amino]methyl]butanoic acid?
The InChIKey is DRPKINBRNXNTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-5(2)6(7(14)15)4-9-8-10-11-12-13(8)3/h5-6H,4H2,1-3H3,(H,14,15)(H,9,10,12).
What are the key properties of 3-methyl-2-[[(1-methyltetrazol-5-yl)amino]methyl]butanoic acid?
3-methyl-2-[[(1-methyltetrazol-5-yl)amino]methyl]butanoic acid has a molecular weight of 213.24 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[(1-methyltetrazol-5-yl)amino]methyl]butanoic acid is sourced from PubChem (CID 65226801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).