(2S)-2-amino-3-methyl-1-(1-methyltetrazol-5-yl)butan-1-one

C7H13N5O — CID 10397466

IUPAC(2S)-2-amino-3-methyl-1-(1-methyltetrazol-5-yl)butan-1-one
SMILESCC(C)[C@H](N)C(=O)c1nnnn1C
InChIInChI=1S/C7H13N5O/c1-4(2)5(8)6(13)7-9-10-11-12(7)3/h4-5H,8H2,1-3H3/t5-/m0/s1
InChIKeyGDBYZEIOHWFOKH-YFKPBYRVSA-N
MW183.21 g/mol
LogP-0.62
Rot. Bonds3

About (2S)-2-amino-3-methyl-1-(1-methyltetrazol-5-yl)butan-1-one

(2S)-2-amino-3-methyl-1-(1-methyltetrazol-5-yl)butan-1-one (PubChem CID 10397466) has the molecular formula C7H13N5O and a molecular weight of 183.21 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-1-(1-methyltetrazol-5-yl)butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-1-(1-methyltetrazol-5-yl)butan-1-one
PubChem CID10397466
Molecular FormulaC7H13N5O
Molecular Weight183.21 g/mol
Exact Mass183.11
IUPAC Name(2S)-2-amino-3-methyl-1-(1-methyltetrazol-5-yl)butan-1-one
SMILESCC(C)[C@H](N)C(=O)c1nnnn1C
InChIInChI=1S/C7H13N5O/c1-4(2)5(8)6(13)7-9-10-11-12(7)3/h4-5H,8H2,1-3H3/t5-/m0/s1
InChIKeyGDBYZEIOHWFOKH-YFKPBYRVSA-N
XLogP-0.62
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-amino-3-methyl-1-(1-methyltetrazol-5-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-1-(1-methyltetrazol-5-yl)butan-1-one?
The IUPAC name of (2S)-2-amino-3-methyl-1-(1-methyltetrazol-5-yl)butan-1-one (CID 10397466) is (2S)-2-amino-3-methyl-1-(1-methyltetrazol-5-yl)butan-1-one.
What is the SMILES notation for (2S)-2-amino-3-methyl-1-(1-methyltetrazol-5-yl)butan-1-one?
The canonical SMILES for (2S)-2-amino-3-methyl-1-(1-methyltetrazol-5-yl)butan-1-one is CC(C)[C@H](N)C(=O)c1nnnn1C.
What is the InChIKey of (2S)-2-amino-3-methyl-1-(1-methyltetrazol-5-yl)butan-1-one?
The InChIKey is GDBYZEIOHWFOKH-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13N5O/c1-4(2)5(8)6(13)7-9-10-11-12(7)3/h4-5H,8H2,1-3H3/t5-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-1-(1-methyltetrazol-5-yl)butan-1-one?
(2S)-2-amino-3-methyl-1-(1-methyltetrazol-5-yl)butan-1-one has a molecular weight of 183.21 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-1-(1-methyltetrazol-5-yl)butan-1-one is sourced from PubChem (CID 10397466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).