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

C11H14N6O — CID 79022947

IUPAC(2S)-2-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
SMILESCC[C@H](N)C(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C11H14N6O/c1-2-10(12)11(18)14-8-3-5-9(6-4-8)17-7-13-15-16-17/h3-7,10H,2,12H2,1H3,(H,14,18)/t10-/m0/s1
InChIKeyPLDHEHIIAGEVLI-JTQLQIEISA-N
MW246.27 g/mol
LogP0.34
Rot. Bonds4

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

(2S)-2-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide (PubChem CID 79022947) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
PubChem CID79022947
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name(2S)-2-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
SMILESCC[C@H](N)C(=O)Nc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C11H14N6O/c1-2-10(12)11(18)14-8-3-5-9(6-4-8)17-7-13-15-16-17/h3-7,10H,2,12H2,1H3,(H,14,18)/t10-/m0/s1
InChIKeyPLDHEHIIAGEVLI-JTQLQIEISA-N
XLogP0.34
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 62854275
(2S)-2-amino-3-methyl-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61259268
(2S)-2-amino-N-[4-(1,2,4-triazol-1-yl)phenyl]butanamide
CID 79024180
3-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide
CID 61260719
(2S)-2-amino-N-[4-(triazol-2-yl)phenyl]butanamide
CID 79025065
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
N-[4-(tetrazol-1-yl)phenyl]hexanamide
CID 18083677
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
2-ethyl-N-[3-(tetrazol-1-yl)phenyl]butanamide
CID 47097708
4-[[(2S)-2-aminobutanoyl]amino]benzoic acid
CID 79023274
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-N-[4-(tetrazol-1-yl)phenyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide (CID 79022947) is (2S)-2-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide is CC[C@H](N)C(=O)Nc1ccc(-n2cnnn2)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide?
The InChIKey is PLDHEHIIAGEVLI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14N6O/c1-2-10(12)11(18)14-8-3-5-9(6-4-8)17-7-13-15-16-17/h3-7,10H,2,12H2,1H3,(H,14,18)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide?
(2S)-2-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide has a molecular weight of 246.27 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(tetrazol-1-yl)phenyl]butanamide is sourced from PubChem (CID 79022947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).