(2S)-2-amino-N-(2-cyanophenyl)butanamide

C11H13N3O — CID 79024962

IUPAC(2S)-2-amino-N-(2-cyanophenyl)butanamide
SMILESCC[C@H](N)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C11H13N3O/c1-2-9(13)11(15)14-10-6-4-3-5-8(10)7-12/h3-6,9H,2,13H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyPZWTWYRQJKAYET-VIFPVBQESA-N
MW203.25 g/mol
LogP1.23
Rot. Bonds3

About (2S)-2-amino-N-(2-cyanophenyl)butanamide

(2S)-2-amino-N-(2-cyanophenyl)butanamide (PubChem CID 79024962) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-cyanophenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-cyanophenyl)butanamide
PubChem CID79024962
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name(2S)-2-amino-N-(2-cyanophenyl)butanamide
SMILESCC[C@H](N)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C11H13N3O/c1-2-9(13)11(15)14-10-6-4-3-5-8(10)7-12/h3-6,9H,2,13H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyPZWTWYRQJKAYET-VIFPVBQESA-N
XLogP1.23
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-cyanophenyl)-4-methylpentanamide
CID 104902583
(2S)-2-amino-N-(2-cyanophenyl)-3-cyclopropylpropanamide
CID 112735200
1-(2-cyanophenyl)-3-pentan-3-ylurea
CID 108888228
(2S)-2-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]butanamide
CID 103930468
N-(2-cyanophenyl)-2-ethylsulfinylpropanamide
CID 64691502
2-amino-N-(2-bromophenyl)butanamide
CID 43649425
(2-cyanophenyl)urea
CID 13155570
(2S)-2-amino-N-(3,4-dicyanophenyl)butanamide
CID 107790511
N-(2-cyanophenyl)-2-[methyl(propyl)amino]propanamide
CID 43271243
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] propanoate
CID 7851291
N-(2-cyanophenyl)-2-propylsulfanylpropanamide
CID 43188543
N-(2-cyanophenyl)-2-(2-propoxyethoxy)propanamide
CID 63686205

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-cyanophenyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(2-cyanophenyl)butanamide (CID 79024962) is (2S)-2-amino-N-(2-cyanophenyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-cyanophenyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(2-cyanophenyl)butanamide is CC[C@H](N)C(=O)Nc1ccccc1C#N.
What is the InChIKey of (2S)-2-amino-N-(2-cyanophenyl)butanamide?
The InChIKey is PZWTWYRQJKAYET-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-9(13)11(15)14-10-6-4-3-5-8(10)7-12/h3-6,9H,2,13H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-cyanophenyl)butanamide?
(2S)-2-amino-N-(2-cyanophenyl)butanamide has a molecular weight of 203.25 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-cyanophenyl)butanamide is sourced from PubChem (CID 79024962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).