(2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide

C13H17N3O — CID 104902583

IUPAC(2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C13H17N3O/c1-9(2)7-11(15)13(17)16-12-6-4-3-5-10(12)8-14/h3-6,9,11H,7,15H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyRSLAVMNJPWVTPR-LLVKDONJSA-N
MW231.30 g/mol
LogP1.87
Rot. Bonds4

About (2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide

(2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide (PubChem CID 104902583) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide
PubChem CID104902583
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C13H17N3O/c1-9(2)7-11(15)13(17)16-12-6-4-3-5-10(12)8-14/h3-6,9,11H,7,15H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyRSLAVMNJPWVTPR-LLVKDONJSA-N
XLogP1.87
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-cyanophenyl)butanamide
CID 79024962
(2S)-2-amino-N-(5-bromo-2-cyanophenyl)-4-methylpentanamide
CID 107798203
2-amino-4-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 24703772
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
2-amino-N-(2-cyano-3-fluorophenyl)-4-methylpentanamide
CID 43580760
(2S)-2-amino-N-(2-cyanophenyl)-3-cyclopropylpropanamide
CID 112735200
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride
CID 119670479
2-[(2-amino-4-methylpentanoyl)amino]benzamide
CID 24702801
(2S)-2-amino-N-[2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]diselanyl]phenyl]-4-methylpentanamide
CID 24862332
2-amino-4-methyl-N-(2-propylphenyl)pentanamide
CID 43703952
2-amino-N-(3-cyanothiophen-2-yl)-4-methylpentanamide
CID 61258756
N-(2-cyanophenyl)-2-methylsulfanylpropanamide
CID 47263046

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide (CID 104902583) is (2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide is CC(C)C[C@@H](N)C(=O)Nc1ccccc1C#N.
What is the InChIKey of (2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide?
The InChIKey is RSLAVMNJPWVTPR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(2)7-11(15)13(17)16-12-6-4-3-5-10(12)8-14/h3-6,9,11H,7,15H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide?
(2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide has a molecular weight of 231.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide is sourced from PubChem (CID 104902583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).