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

C13H18N6O — CID 107144063

IUPAC(2S)-2-amino-N-[2-(tetrazol-1-yl)phenyl]hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccccc1-n1cnnn1
InChIInChI=1S/C13H18N6O/c1-2-3-6-10(14)13(20)16-11-7-4-5-8-12(11)19-9-15-17-18-19/h4-5,7-10H,2-3,6,14H2,1H3,(H,16,20)/t10-/m0/s1
InChIKeyXWMKVFLHSIEEGX-JTQLQIEISA-N
MW274.33 g/mol
LogP1.12
Rot. Bonds6

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

(2S)-2-amino-N-[2-(tetrazol-1-yl)phenyl]hexanamide (PubChem CID 107144063) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(tetrazol-1-yl)phenyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(tetrazol-1-yl)phenyl]hexanamide
PubChem CID107144063
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name(2S)-2-amino-N-[2-(tetrazol-1-yl)phenyl]hexanamide
SMILESCCCC[C@H](N)C(=O)Nc1ccccc1-n1cnnn1
InChIInChI=1S/C13H18N6O/c1-2-3-6-10(14)13(20)16-11-7-4-5-8-12(11)19-9-15-17-18-19/h4-5,7-10H,2-3,6,14H2,1H3,(H,16,20)/t10-/m0/s1
InChIKeyXWMKVFLHSIEEGX-JTQLQIEISA-N
XLogP1.12
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 61180779
2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 43706192
(2S)-2-amino-N-[2-(1,2,4-triazol-1-yl)phenyl]hexanamide
CID 103830798
(2R)-2-amino-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 54995832
2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 43698693
3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 55110809
(2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide
CID 79025471
(2S)-2-amino-N-(2-chlorophenyl)hexanamide
CID 103830834
2-amino-N-(2-methylsulfonylphenyl)hexanamide
CID 54928189
3-amino-2,2-dimethyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 115426234
(2S)-2-amino-N-(2-phenylphenyl)hexanamide
CID 103830910
2-amino-N-(2-hydroxy-3-methylphenyl)hexanamide
CID 79596538

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(tetrazol-1-yl)phenyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[2-(tetrazol-1-yl)phenyl]hexanamide (CID 107144063) is (2S)-2-amino-N-[2-(tetrazol-1-yl)phenyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(tetrazol-1-yl)phenyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(tetrazol-1-yl)phenyl]hexanamide is CCCC[C@H](N)C(=O)Nc1ccccc1-n1cnnn1.
What is the InChIKey of (2S)-2-amino-N-[2-(tetrazol-1-yl)phenyl]hexanamide?
The InChIKey is XWMKVFLHSIEEGX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N6O/c1-2-3-6-10(14)13(20)16-11-7-4-5-8-12(11)19-9-15-17-18-19/h4-5,7-10H,2-3,6,14H2,1H3,(H,16,20)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(tetrazol-1-yl)phenyl]hexanamide?
(2S)-2-amino-N-[2-(tetrazol-1-yl)phenyl]hexanamide has a molecular weight of 274.33 g/mol, XLogP of 1.12, 6 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-(tetrazol-1-yl)phenyl]hexanamide is sourced from PubChem (CID 107144063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).