(2S)-2-amino-N-(2-methyltetrazol-5-yl)-4-phenylbutanamide

C12H16N6O — CID 104984683

IUPAC(2S)-2-amino-N-(2-methyltetrazol-5-yl)-4-phenylbutanamide
SMILESCn1nnc(NC(=O)[C@@H](N)CCc2ccccc2)n1
InChIInChI=1S/C12H16N6O/c1-18-16-12(15-17-18)14-11(19)10(13)8-7-9-5-3-2-4-6-9/h2-6,10H,7-8,13H2,1H3,(H,14,16,19)/t10-/m0/s1
InChIKeyMIVUBZOISDJAMS-JTQLQIEISA-N
MW260.30 g/mol
LogP0.11
Rot. Bonds5

About (2S)-2-amino-N-(2-methyltetrazol-5-yl)-4-phenylbutanamide

(2S)-2-amino-N-(2-methyltetrazol-5-yl)-4-phenylbutanamide (PubChem CID 104984683) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methyltetrazol-5-yl)-4-phenylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methyltetrazol-5-yl)-4-phenylbutanamide
PubChem CID104984683
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name(2S)-2-amino-N-(2-methyltetrazol-5-yl)-4-phenylbutanamide
SMILESCn1nnc(NC(=O)[C@@H](N)CCc2ccccc2)n1
InChIInChI=1S/C12H16N6O/c1-18-16-12(15-17-18)14-11(19)10(13)8-7-9-5-3-2-4-6-9/h2-6,10H,7-8,13H2,1H3,(H,14,16,19)/t10-/m0/s1
InChIKeyMIVUBZOISDJAMS-JTQLQIEISA-N
XLogP0.11
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-amino-N-(2-methyltetrazol-5-yl)-4-phenylbutanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-3-(1H-indol-3-yl)-N-(2-methyltetrazol-5-yl)propanamide
CID 114350844
2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-phenylbutanamide
CID 102805533
(2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide
CID 104984386
(2S)-2-amino-4-phenyl-N-pyridazin-3-ylbutanamide
CID 104984888
(2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylbutanamide
CID 104984023
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
CID 114929288
2-amino-4-phenyl-N-propan-2-ylbutanamide
CID 114924577
(2S)-2-amino-N-(6-chloropyridazin-3-yl)-4-phenylbutanamide
CID 104984882
(2S)-2-amino-N-(4-hydroxybutan-2-yl)-4-phenylbutanamide
CID 104984748
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide
CID 114924652
(2S)-2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylbutanamide
CID 106302587

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-methyltetrazol-5-yl)-4-phenylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-methyltetrazol-5-yl)-4-phenylbutanamide (CID 104984683) is (2S)-2-amino-N-(2-methyltetrazol-5-yl)-4-phenylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-methyltetrazol-5-yl)-4-phenylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-methyltetrazol-5-yl)-4-phenylbutanamide is Cn1nnc(NC(=O)[C@@H](N)CCc2ccccc2)n1.
What is the InChIKey of (2S)-2-amino-N-(2-methyltetrazol-5-yl)-4-phenylbutanamide?
The InChIKey is MIVUBZOISDJAMS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N6O/c1-18-16-12(15-17-18)14-11(19)10(13)8-7-9-5-3-2-4-6-9/h2-6,10H,7-8,13H2,1H3,(H,14,16,19)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-methyltetrazol-5-yl)-4-phenylbutanamide?
(2S)-2-amino-N-(2-methyltetrazol-5-yl)-4-phenylbutanamide has a molecular weight of 260.30 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-methyltetrazol-5-yl)-4-phenylbutanamide is sourced from PubChem (CID 104984683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).