2-amino-2-[3-(cyanomethyl)phenyl]acetic acid

C10H10N2O2 — CID 55272287

IUPAC2-amino-2-[3-(cyanomethyl)phenyl]acetic acid
SMILESN#CCc1cccc(C(N)C(=O)O)c1
InChIInChI=1S/C10H10N2O2/c11-5-4-7-2-1-3-8(6-7)9(12)10(13)14/h1-3,6,9H,4,12H2,(H,13,14)
InChIKeyDVINBOICUUKRFV-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.84
Rot. Bonds3

About 2-amino-2-[3-(cyanomethyl)phenyl]acetic acid

2-amino-2-[3-(cyanomethyl)phenyl]acetic acid (PubChem CID 55272287) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-amino-2-[3-(cyanomethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[3-(cyanomethyl)phenyl]acetic acid
PubChem CID55272287
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-amino-2-[3-(cyanomethyl)phenyl]acetic acid
SMILESN#CCc1cccc(C(N)C(=O)O)c1
InChIInChI=1S/C10H10N2O2/c11-5-4-7-2-1-3-8(6-7)9(12)10(13)14/h1-3,6,9H,4,12H2,(H,13,14)
InChIKeyDVINBOICUUKRFV-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

3-amino-3-[3-(cyanomethyl)phenyl]propanenitrile
CID 55272972
2-[3-[(1R)-1-amino-2-methylpropyl]phenyl]acetonitrile
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2-[3-(1-fluoroethyl)phenyl]acetonitrile
CID 84764629
2-amino-2-[2-(cyanomethyl)phenyl]acetic acid
CID 55272286
(2S)-2-amino-2-[3-(cyanomethyl)-4-methoxyphenyl]acetic acid
CID 66512345
sodium;(2S)-2-amino-2-phenylacetic acid;carbanide
CID 175955614
(2R)-2-amino-2-(3-bromophenyl)acetic acid
CID 7033009
2-amino-2-phenylacetic acid;benzene
CID 18446848
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride
CID 91800311
2-amino-2-(3-methylphenyl)acetic acid;hydrochloride
CID 24730259
3-(cyanomethyl)benzohydrazide
CID 68715824

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(cyanomethyl)phenyl]acetic acid?
The IUPAC name of 2-amino-2-[3-(cyanomethyl)phenyl]acetic acid (CID 55272287) is 2-amino-2-[3-(cyanomethyl)phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[3-(cyanomethyl)phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[3-(cyanomethyl)phenyl]acetic acid is N#CCc1cccc(C(N)C(=O)O)c1.
What is the InChIKey of 2-amino-2-[3-(cyanomethyl)phenyl]acetic acid?
The InChIKey is DVINBOICUUKRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c11-5-4-7-2-1-3-8(6-7)9(12)10(13)14/h1-3,6,9H,4,12H2,(H,13,14).
What are the key properties of 2-amino-2-[3-(cyanomethyl)phenyl]acetic acid?
2-amino-2-[3-(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-[3-(cyanomethyl)phenyl]acetic acid is sourced from PubChem (CID 55272287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).