2-amino-2-(4-cyano-3-fluorophenyl)acetic acid

C9H7FN2O2 — CID 55297389

IUPAC2-amino-2-(4-cyano-3-fluorophenyl)acetic acid
SMILESN#Cc1ccc(C(N)C(=O)O)cc1F
InChIInChI=1S/C9H7FN2O2/c10-7-3-5(8(12)9(13)14)1-2-6(7)4-11/h1-3,8H,12H2,(H,13,14)
InChIKeyRHJQOKAIDUBTMO-UHFFFAOYSA-N
MW194.16 g/mol
LogP0.78
Rot. Bonds2

About 2-amino-2-(4-cyano-3-fluorophenyl)acetic acid

2-amino-2-(4-cyano-3-fluorophenyl)acetic acid (PubChem CID 55297389) has the molecular formula C9H7FN2O2 and a molecular weight of 194.16 g/mol. Its IUPAC name is 2-amino-2-(4-cyano-3-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4-cyano-3-fluorophenyl)acetic acid
PubChem CID55297389
Molecular FormulaC9H7FN2O2
Molecular Weight194.16 g/mol
Exact Mass194.05
IUPAC Name2-amino-2-(4-cyano-3-fluorophenyl)acetic acid
SMILESN#Cc1ccc(C(N)C(=O)O)cc1F
InChIInChI=1S/C9H7FN2O2/c10-7-3-5(8(12)9(13)14)1-2-6(7)4-11/h1-3,8H,12H2,(H,13,14)
InChIKeyRHJQOKAIDUBTMO-UHFFFAOYSA-N
XLogP0.78
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-cyano-3-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823998
2-amino-2-(4-amino-3-cyanophenyl)acetic acid
CID 77127940
2-amino-2-(3,4-difluorophenyl)acetic acid;hydrochloride
CID 24730258
5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile
CID 55296121
4-(1-bromo-2-oxopropyl)-2-fluorobenzonitrile
CID 131168219
4-(1-aminopropyl)-2-fluorobenzonitrile
CID 55283000
2-fluoro-4-propan-2-ylbenzonitrile
CID 59836617
(2S)-2-amino-2-(3-fluoro-4-phenylphenyl)acetic acid
CID 135292614
methyl (2R)-2-amino-2-(3-cyano-4-fluorophenyl)acetate
CID 131484786
(2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid
CID 130647675
2-(4-cyano-3-fluorophenoxy)propanoic acid
CID 22610140
(2S)-2-amino-5-[(4-cyano-3-(18F)fluorophenyl)methyl]hexanedioic acid
CID 89445670

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-cyano-3-fluorophenyl)acetic acid?
The IUPAC name of 2-amino-2-(4-cyano-3-fluorophenyl)acetic acid (CID 55297389) is 2-amino-2-(4-cyano-3-fluorophenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(4-cyano-3-fluorophenyl)acetic acid?
The canonical SMILES for 2-amino-2-(4-cyano-3-fluorophenyl)acetic acid is N#Cc1ccc(C(N)C(=O)O)cc1F.
What is the InChIKey of 2-amino-2-(4-cyano-3-fluorophenyl)acetic acid?
The InChIKey is RHJQOKAIDUBTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O2/c10-7-3-5(8(12)9(13)14)1-2-6(7)4-11/h1-3,8H,12H2,(H,13,14).
What are the key properties of 2-amino-2-(4-cyano-3-fluorophenyl)acetic acid?
2-amino-2-(4-cyano-3-fluorophenyl)acetic acid has a molecular weight of 194.16 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-cyano-3-fluorophenyl)acetic acid is sourced from PubChem (CID 55297389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).