(2S)-2-amino-N-(3-cyanophenyl)propanamide

C10H11N3O — CID 22690609

IUPAC(2S)-2-amino-N-(3-cyanophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C10H11N3O/c1-7(12)10(14)13-9-4-2-3-8(5-9)6-11/h2-5,7H,12H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyKNGFNAXYRGYTMN-ZETCQYMHSA-N
MW189.22 g/mol
LogP0.84
Rot. Bonds2

About (2S)-2-amino-N-(3-cyanophenyl)propanamide

(2S)-2-amino-N-(3-cyanophenyl)propanamide (PubChem CID 22690609) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-cyanophenyl)propanamide
PubChem CID22690609
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name(2S)-2-amino-N-(3-cyanophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C10H11N3O/c1-7(12)10(14)13-9-4-2-3-8(5-9)6-11/h2-5,7H,12H2,1H3,(H,13,14)/t7-/m0/s1
InChIKeyKNGFNAXYRGYTMN-ZETCQYMHSA-N
XLogP0.84
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43176773
N-(3-cyanophenyl)-2-ethoxypropanamide
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N-(3-acetamidophenyl)-2-aminopropanamide
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N-(3-cyanophenyl)-2-(3-methylbutan-2-ylsulfonyl)propanamide
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N-(3-cyanophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309828
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
2-butan-2-ylsulfinyl-N-(3-cyanophenyl)propanamide
CID 64690055
N-(3-cyanophenyl)-2-[methyl(propyl)amino]propanamide
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CID 11101346

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-cyanophenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(3-cyanophenyl)propanamide (CID 22690609) is (2S)-2-amino-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-cyanophenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(3-cyanophenyl)propanamide is C[C@H](N)C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of (2S)-2-amino-N-(3-cyanophenyl)propanamide?
The InChIKey is KNGFNAXYRGYTMN-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7(12)10(14)13-9-4-2-3-8(5-9)6-11/h2-5,7H,12H2,1H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-cyanophenyl)propanamide?
(2S)-2-amino-N-(3-cyanophenyl)propanamide has a molecular weight of 189.22 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 22690609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).