methyl (2R)-2-amino-2-(3-cyano-4-fluorophenyl)acetate

C10H9FN2O2 — CID 131484786

IUPACmethyl (2R)-2-amino-2-(3-cyano-4-fluorophenyl)acetate
SMILESCOC(=O)[C@H](N)c1ccc(F)c(C#N)c1
InChIInChI=1S/C10H9FN2O2/c1-15-10(14)9(13)6-2-3-8(11)7(4-6)5-12/h2-4,9H,13H2,1H3/t9-/m1/s1
InChIKeyNJFZJYCWKRFQJJ-SECBINFHSA-N
MW208.19 g/mol
LogP0.87
Rot. Bonds2

About methyl (2R)-2-amino-2-(3-cyano-4-fluorophenyl)acetate

methyl (2R)-2-amino-2-(3-cyano-4-fluorophenyl)acetate (PubChem CID 131484786) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(3-cyano-4-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(3-cyano-4-fluorophenyl)acetate
PubChem CID131484786
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Namemethyl (2R)-2-amino-2-(3-cyano-4-fluorophenyl)acetate
SMILESCOC(=O)[C@H](N)c1ccc(F)c(C#N)c1
InChIInChI=1S/C10H9FN2O2/c1-15-10(14)9(13)6-2-3-8(11)7(4-6)5-12/h2-4,9H,13H2,1H3/t9-/m1/s1
InChIKeyNJFZJYCWKRFQJJ-SECBINFHSA-N
XLogP0.87
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-amino-2-oxopropyl)-2-fluorobenzonitrile
CID 55296121
methyl 3-(3-cyano-4-fluorophenyl)-2,3-dihydroxypropanoate
CID 171864069
methyl (2R)-2-amino-2-(4-cyanophenyl)acetate
CID 58916884
methyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate
CID 171201488
methyl 2-bromo-3-(3-cyano-4-fluorophenyl)propanoate
CID 62393757
5-(2-amino-1-hydroxy-3-methylbutyl)-2-fluorobenzonitrile
CID 107936451
2-(3-cyano-4-fluorophenyl)-2-(ethylamino)acetamide
CID 107936380
2-amino-2-(4-cyano-3-fluorophenyl)acetic acid
CID 55297389
ethyl 4-(3-cyano-4-fluorophenyl)-4-hydroxybutanoate
CID 107936566
methyl 2-bromo-3-(3-cyano-4-fluoroanilino)propanoate
CID 103247896
methyl 2-[(3-cyano-4-fluorophenyl)sulfonylamino]propanoate
CID 63288587
5-[(1S)-1,2-diaminoethyl]-2-fluorobenzonitrile
CID 55265325

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(3-cyano-4-fluorophenyl)acetate?
The IUPAC name of methyl (2R)-2-amino-2-(3-cyano-4-fluorophenyl)acetate (CID 131484786) is methyl (2R)-2-amino-2-(3-cyano-4-fluorophenyl)acetate.
What is the SMILES notation for methyl (2R)-2-amino-2-(3-cyano-4-fluorophenyl)acetate?
The canonical SMILES for methyl (2R)-2-amino-2-(3-cyano-4-fluorophenyl)acetate is COC(=O)[C@H](N)c1ccc(F)c(C#N)c1.
What is the InChIKey of methyl (2R)-2-amino-2-(3-cyano-4-fluorophenyl)acetate?
The InChIKey is NJFZJYCWKRFQJJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-15-10(14)9(13)6-2-3-8(11)7(4-6)5-12/h2-4,9H,13H2,1H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-(3-cyano-4-fluorophenyl)acetate?
methyl (2R)-2-amino-2-(3-cyano-4-fluorophenyl)acetate has a molecular weight of 208.19 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(3-cyano-4-fluorophenyl)acetate is sourced from PubChem (CID 131484786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).