(2R)-2-amino-2-(2-amino-3,5-difluorophenyl)acetic acid

C8H8F2N2O2 — CID 130632470

IUPAC(2R)-2-amino-2-(2-amino-3,5-difluorophenyl)acetic acid
SMILESNc1c(F)cc(F)cc1[C@@H](N)C(=O)O
InChIInChI=1S/C8H8F2N2O2/c9-3-1-4(7(12)8(13)14)6(11)5(10)2-3/h1-2,7H,11-12H2,(H,13,14)/t7-/m1/s1
InChIKeyWSDVZDXMURVBFP-SSDOTTSWSA-N
MW202.16 g/mol
LogP0.63
Rot. Bonds2

About (2R)-2-amino-2-(2-amino-3,5-difluorophenyl)acetic acid

(2R)-2-amino-2-(2-amino-3,5-difluorophenyl)acetic acid (PubChem CID 130632470) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-amino-3,5-difluorophenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-amino-3,5-difluorophenyl)acetic acid
PubChem CID130632470
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name(2R)-2-amino-2-(2-amino-3,5-difluorophenyl)acetic acid
SMILESNc1c(F)cc(F)cc1[C@@H](N)C(=O)O
InChIInChI=1S/C8H8F2N2O2/c9-3-1-4(7(12)8(13)14)6(11)5(10)2-3/h1-2,7H,11-12H2,(H,13,14)/t7-/m1/s1
InChIKeyWSDVZDXMURVBFP-SSDOTTSWSA-N
XLogP0.63
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(4-amino-2-fluorophenyl)acetic acid
CID 77128000
2-[(1R)-1-amino-2,2,2-trifluoroethyl]-4,6-difluoroaniline
CID 66511440
2-amino-2-(2,5-difluoro-3-methylsulfonylphenyl)acetic acid
CID 117416606
2-(2-amino-3,5-difluorophenyl)-4-cyclopentylbutanoic acid
CID 106987412
methyl 2-(2-amino-3,5-difluorophenyl)butanoate
CID 106987849
(2R)-2-hydroxy-2-(2,3,5-trifluorophenyl)acetic acid
CID 70080177
2-amino-2-(2-amino-3,5-dimethylphenyl)acetic acid
CID 55297245
2-amino-2-(3-amino-4,5-difluorophenyl)acetic acid
CID 117115072
ethyl 3-(2-amino-3,5-difluorophenyl)-2,3-dihydroxypropanoate
CID 171866176
2-amino-2-(5-ethyl-2,3-difluorophenyl)acetic acid
CID 117306246
(2S)-2-amino-2-(2-fluoro-4-iodophenyl)acetic acid
CID 66513291
2-amino-2-(5-chloro-2,3-difluorophenyl)acetic acid
CID 84788280

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-amino-3,5-difluorophenyl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(2-amino-3,5-difluorophenyl)acetic acid (CID 130632470) is (2R)-2-amino-2-(2-amino-3,5-difluorophenyl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(2-amino-3,5-difluorophenyl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(2-amino-3,5-difluorophenyl)acetic acid is Nc1c(F)cc(F)cc1[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-(2-amino-3,5-difluorophenyl)acetic acid?
The InChIKey is WSDVZDXMURVBFP-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c9-3-1-4(7(12)8(13)14)6(11)5(10)2-3/h1-2,7H,11-12H2,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-2-(2-amino-3,5-difluorophenyl)acetic acid?
(2R)-2-amino-2-(2-amino-3,5-difluorophenyl)acetic acid has a molecular weight of 202.16 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-amino-3,5-difluorophenyl)acetic acid is sourced from PubChem (CID 130632470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).