2-amino-2-[2-(cyanomethyl)phenyl]acetic acid

C10H10N2O2 — CID 55272286

IUPAC2-amino-2-[2-(cyanomethyl)phenyl]acetic acid
SMILESN#CCc1ccccc1C(N)C(=O)O
InChIInChI=1S/C10H10N2O2/c11-6-5-7-3-1-2-4-8(7)9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)
InChIKeyHZJYQNMCUQKTJU-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.84
Rot. Bonds3

About 2-amino-2-[2-(cyanomethyl)phenyl]acetic acid

2-amino-2-[2-(cyanomethyl)phenyl]acetic acid (PubChem CID 55272286) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-amino-2-[2-(cyanomethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(cyanomethyl)phenyl]acetic acid
PubChem CID55272286
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-amino-2-[2-(cyanomethyl)phenyl]acetic acid
SMILESN#CCc1ccccc1C(N)C(=O)O
InChIInChI=1S/C10H10N2O2/c11-6-5-7-3-1-2-4-8(7)9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)
InChIKeyHZJYQNMCUQKTJU-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-amino-3-hydroxypropyl)phenyl]acetonitrile
CID 55273402
2-[2-[(1R,2R)-1-amino-2-hydroxypropyl]phenyl]acetonitrile
CID 130639969
2-amino-2-[2-(2-hydroxy-2-methylpropyl)phenyl]acetic acid
CID 117115041
2-[2-(1-aminoprop-2-enyl)phenyl]acetonitrile
CID 55283390
2-amino-2-[3-(cyanomethyl)phenyl]acetic acid
CID 55272287
(2S)-2-amino-2-[3-(cyanomethyl)-4-methoxyphenyl]acetic acid
CID 66512345
2-amino-2-phenylacetic acid;benzene
CID 18446848
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-(2-pentan-3-ylphenyl)acetic acid
CID 83838407
(2R)-2-amino-2-(2-chloro-3-cyanophenyl)acetic acid
CID 130701472
2-amino-2-(2-cyano-3-pyridinyl)acetic acid
CID 83874641
2-(2-acetamidophenyl)-2-aminoacetic acid
CID 21317152

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(cyanomethyl)phenyl]acetic acid?
The IUPAC name of 2-amino-2-[2-(cyanomethyl)phenyl]acetic acid (CID 55272286) is 2-amino-2-[2-(cyanomethyl)phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(cyanomethyl)phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(cyanomethyl)phenyl]acetic acid is N#CCc1ccccc1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-[2-(cyanomethyl)phenyl]acetic acid?
The InChIKey is HZJYQNMCUQKTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-6-5-7-3-1-2-4-8(7)9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14).
What are the key properties of 2-amino-2-[2-(cyanomethyl)phenyl]acetic acid?
2-amino-2-[2-(cyanomethyl)phenyl]acetic acid has a molecular weight of 190.20 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(cyanomethyl)phenyl]acetic acid is sourced from PubChem (CID 55272286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).