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

C13H18N6O — CID 61180779

IUPAC(2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccccc1-n1cnnn1
InChIInChI=1S/C13H18N6O/c1-9(2)7-10(14)13(20)16-11-5-3-4-6-12(11)19-8-15-17-18-19/h3-6,8-10H,7,14H2,1-2H3,(H,16,20)/t10-/m0/s1
InChIKeyXJKHHKHKLNXPIC-JTQLQIEISA-N
MW274.33 g/mol
LogP0.97
Rot. Bonds5

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

(2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide (PubChem CID 61180779) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
PubChem CID61180779
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name(2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)Nc1ccccc1-n1cnnn1
InChIInChI=1S/C13H18N6O/c1-9(2)7-10(14)13(20)16-11-5-3-4-6-12(11)19-8-15-17-18-19/h3-6,8-10H,7,14H2,1-2H3,(H,16,20)/t10-/m0/s1
InChIKeyXJKHHKHKLNXPIC-JTQLQIEISA-N
XLogP0.97
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 43706192
(2R)-2-amino-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 54995832
(2S)-2-amino-N-[2-(tetrazol-1-yl)phenyl]hexanamide
CID 107144063
2-chloro-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 43698693
3-chloro-2-methyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 55110809
(2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide
CID 104902971
5-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 82011021
3-amino-2,2-dimethyl-N-[2-(tetrazol-1-yl)phenyl]propanamide
CID 115426234
(2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide
CID 79025471
2-amino-4-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 24703772
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline
CID 43702180

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide (CID 61180779) is (2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide is CC(C)C[C@H](N)C(=O)Nc1ccccc1-n1cnnn1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide?
The InChIKey is XJKHHKHKLNXPIC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N6O/c1-9(2)7-10(14)13(20)16-11-5-3-4-6-12(11)19-8-15-17-18-19/h3-6,8-10H,7,14H2,1-2H3,(H,16,20)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide?
(2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide has a molecular weight of 274.33 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide is sourced from PubChem (CID 61180779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).