(2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide

C13H17FN6O — CID 104902971

IUPAC(2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C13H17FN6O/c1-8(2)5-11(15)13(21)17-12-6-9(3-4-10(12)14)20-7-16-18-19-20/h3-4,6-8,11H,5,15H2,1-2H3,(H,17,21)/t11-/m1/s1
InChIKeyDJLNXVDYXVBKNY-LLVKDONJSA-N
MW292.32 g/mol
LogP1.11
Rot. Bonds5

About (2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide

(2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide (PubChem CID 104902971) has the molecular formula C13H17FN6O and a molecular weight of 292.32 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide
PubChem CID104902971
Molecular FormulaC13H17FN6O
Molecular Weight292.32 g/mol
Exact Mass292.14
IUPAC Name(2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C13H17FN6O/c1-8(2)5-11(15)13(21)17-12-6-9(3-4-10(12)14)20-7-16-18-19-20/h3-4,6-8,11H,5,15H2,1-2H3,(H,17,21)/t11-/m1/s1
InChIKeyDJLNXVDYXVBKNY-LLVKDONJSA-N
XLogP1.11
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzamide
CID 104902798
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
3-amino-4-[2-methyl-5-(tetrazol-1-yl)anilino]-4-oxobutanoic acid
CID 64895694
(2S)-2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 61180779
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
2-amino-4-methyl-N-[2-(tetrazol-1-yl)phenyl]pentanamide
CID 43706192
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-fluorobenzoic acid
CID 61180473
4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
CID 54862455
N-[1-[2-fluoro-5-(tetrazol-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55991992
3-chloro-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2,2-dimethylpropanamide
CID 63681109
1-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 118776038
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79286663

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide (CID 104902971) is (2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide is CC(C)C[C@@H](N)C(=O)Nc1cc(-n2cnnn2)ccc1F.
What is the InChIKey of (2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide?
The InChIKey is DJLNXVDYXVBKNY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17FN6O/c1-8(2)5-11(15)13(21)17-12-6-9(3-4-10(12)14)20-7-16-18-19-20/h3-4,6-8,11H,5,15H2,1-2H3,(H,17,21)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide?
(2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide has a molecular weight of 292.32 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide is sourced from PubChem (CID 104902971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).