(2S)-3-amino-2-(4-cyanophenyl)propanoic acid

C10H10N2O2 — CID 57364978

IUPAC(2S)-3-amino-2-(4-cyanophenyl)propanoic acid
SMILESN#Cc1ccc([C@@H](CN)C(=O)O)cc1
InChIInChI=1S/C10H10N2O2/c11-5-7-1-3-8(4-2-7)9(6-12)10(13)14/h1-4,9H,6,12H2,(H,13,14)/t9-/m1/s1
InChIKeyNLMYWPBWJNTJOF-SECBINFHSA-N
MW190.20 g/mol
LogP0.69
Rot. Bonds3

About (2S)-3-amino-2-(4-cyanophenyl)propanoic acid

(2S)-3-amino-2-(4-cyanophenyl)propanoic acid (PubChem CID 57364978) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is (2S)-3-amino-2-(4-cyanophenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-3-amino-2-(4-cyanophenyl)propanoic acid
PubChem CID57364978
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name(2S)-3-amino-2-(4-cyanophenyl)propanoic acid
SMILESN#Cc1ccc([C@@H](CN)C(=O)O)cc1
InChIInChI=1S/C10H10N2O2/c11-5-7-1-3-8(4-2-7)9(6-12)10(13)14/h1-4,9H,6,12H2,(H,13,14)/t9-/m1/s1
InChIKeyNLMYWPBWJNTJOF-SECBINFHSA-N
XLogP0.69
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-[4-(4-cyanophenyl)phenyl]-4-oxobutanoic acid
CID 68837736
2-(4-cyanophenyl)-4,4,4-trifluorobutanoic acid
CID 175737295
3-(4-cyanophenyl)-2-(4-propan-2-ylphenyl)propanoic acid
CID 82141009
(2R)-2-(4-cyanophenyl)-2-hydroxyacetic acid
CID 67741603
2-chloro-2-(4-cyanophenyl)acetic acid
CID 89396840
(2S)-2-(4-cyanophenyl)propanoic acid
CID 70308713
3-(4-cyanophenyl)-2-[4-(dimethylamino)phenyl]propanoic acid
CID 82141019
3-amino-2-[4-(2-hydroxypropan-2-yl)phenyl]propanoic acid
CID 117116162
(2S)-3-amino-2-(4-butoxyphenyl)propanoic acid
CID 125032808
4-[(2R)-1-aminopropan-2-yl]benzonitrile
CID 139426388
3-(4-cyanophenyl)-3-hydroxypropanoic acid
CID 89195276
methyl (2R)-2-amino-2-(4-cyanophenyl)acetate
CID 58916884

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-2-(4-cyanophenyl)propanoic acid?
The IUPAC name of (2S)-3-amino-2-(4-cyanophenyl)propanoic acid (CID 57364978) is (2S)-3-amino-2-(4-cyanophenyl)propanoic acid.
What is the SMILES notation for (2S)-3-amino-2-(4-cyanophenyl)propanoic acid?
The canonical SMILES for (2S)-3-amino-2-(4-cyanophenyl)propanoic acid is N#Cc1ccc([C@@H](CN)C(=O)O)cc1.
What is the InChIKey of (2S)-3-amino-2-(4-cyanophenyl)propanoic acid?
The InChIKey is NLMYWPBWJNTJOF-SECBINFHSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-5-7-1-3-8(4-2-7)9(6-12)10(13)14/h1-4,9H,6,12H2,(H,13,14)/t9-/m1/s1.
What are the key properties of (2S)-3-amino-2-(4-cyanophenyl)propanoic acid?
(2S)-3-amino-2-(4-cyanophenyl)propanoic acid has a molecular weight of 190.20 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-2-(4-cyanophenyl)propanoic acid is sourced from PubChem (CID 57364978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).