(2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide

C12H16N6O — CID 61259268

IUPAC(2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide
SMILESCC(C)[C@H](N)C(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C12H16N6O/c1-8(2)11(13)12(19)15-9-3-5-10(6-4-9)18-7-14-16-17-18/h3-8,11H,13H2,1-2H3,(H,15,19)/t11-/m0/s1
InChIKeyZDRUDYALHCUACI-NSHDSACASA-N
MW260.30 g/mol
LogP0.58
Rot. Bonds4

About (2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide

(2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide (PubChem CID 61259268) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide
PubChem CID61259268
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name(2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide
SMILESCC(C)[C@H](N)C(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C12H16N6O/c1-8(2)11(13)12(19)15-9-3-5-10(6-4-9)18-7-14-16-17-18/h3-8,11H,13H2,1-2H3,(H,15,19)/t11-/m0/s1
InChIKeyZDRUDYALHCUACI-NSHDSACASA-N
XLogP0.58
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 79022947
(2S)-2-amino-N-[2-chloro-5-(tetrazol-1-yl)phenyl]-3-methylbutanamide
CID 61178561
3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61260719
2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 62854275
2-(azetidin-3-yl)-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 116677263
(2R)-N-(4-chlorophenyl)-2-[4-(tetrazol-1-yl)anilino]propanamide
CID 25340645
(2S)-2-amino-3-methyl-N-[4-(triazol-2-yl)phenyl]butanamide
CID 61154782
4-[[(2S)-2-amino-3-methylbutanoyl]amino]benzamide
CID 22690703
2-(4-chlorophenyl)sulfanyl-N-[4-(tetrazol-1-yl)phenyl]propanamide
CID 4881594
N-(4-acetylphenyl)-2-[4-(tetrazol-1-yl)phenoxy]propanamide
CID 42903595
(2R)-2-amino-N-[3-(tetrazol-1-yl)phenyl]propanamide
CID 54991235
3-methyl-5-oxo-5-[4-(tetrazol-1-yl)anilino]pentanoic acid
CID 62964862

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide (CID 61259268) is (2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide is CC(C)[C@H](N)C(=O)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide?
The InChIKey is ZDRUDYALHCUACI-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N6O/c1-8(2)11(13)12(19)15-9-3-5-10(6-4-9)18-7-14-16-17-18/h3-8,11H,13H2,1-2H3,(H,15,19)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide?
(2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide has a molecular weight of 260.30 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide is sourced from PubChem (CID 61259268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).