methyl (2R)-2-amino-2-(4-cyanophenyl)acetate

C10H10N2O2 — CID 58916884

IUPACmethyl (2R)-2-amino-2-(4-cyanophenyl)acetate
SMILESCOC(=O)[C@H](N)c1ccc(C#N)cc1
InChIInChI=1S/C10H10N2O2/c1-14-10(13)9(12)8-4-2-7(6-11)3-5-8/h2-5,9H,12H2,1H3/t9-/m1/s1
InChIKeyMSZIDRYUSWJXBZ-SECBINFHSA-N
MW190.20 g/mol
LogP0.73
Rot. Bonds2

About methyl (2R)-2-amino-2-(4-cyanophenyl)acetate

methyl (2R)-2-amino-2-(4-cyanophenyl)acetate (PubChem CID 58916884) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(4-cyanophenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(4-cyanophenyl)acetate
PubChem CID58916884
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namemethyl (2R)-2-amino-2-(4-cyanophenyl)acetate
SMILESCOC(=O)[C@H](N)c1ccc(C#N)cc1
InChIInChI=1S/C10H10N2O2/c1-14-10(13)9(12)8-4-2-7(6-11)3-5-8/h2-5,9H,12H2,1H3/t9-/m1/s1
InChIKeyMSZIDRYUSWJXBZ-SECBINFHSA-N
XLogP0.73
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-3-(4-cyanophenyl)propanoate
CID 2769464
methyl (2S)-2-[1-(4-cyanophenyl)ethylamino]propanoate
CID 43723691
methyl (3S)-3-amino-3-(4-cyanophenyl)-2,2-dimethylpropanoate
CID 171245582
methyl (2R)-2-amino-2-(3-cyano-4-fluorophenyl)acetate
CID 131484786
methyl 2-[acetyl(methyl)amino]-2-(4-cyanophenyl)acetate
CID 101373466
methyl 4-(1-amino-2-methoxy-2-oxoethyl)benzoate
CID 10082311
methyl 2-[(4-cyanophenyl)-hydroxymethyl]but-3-enoate
CID 14318910
methyl 2-(4-cyanoanilino)propanoate
CID 43515132
methyl 2-[1-(4-cyanophenyl)ethylamino]-4-methylpentanoate
CID 43689035
methyl (2R)-2-amino-2-(3,4-dibromophenyl)acetate
CID 130927845
methyl (2R)-2-amino-2-[4-(difluoromethoxy)phenyl]acetate
CID 93311120
4-(1-aminoethyl)benzonitrile
CID 11544790

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(4-cyanophenyl)acetate?
The IUPAC name of methyl (2R)-2-amino-2-(4-cyanophenyl)acetate (CID 58916884) is methyl (2R)-2-amino-2-(4-cyanophenyl)acetate.
What is the SMILES notation for methyl (2R)-2-amino-2-(4-cyanophenyl)acetate?
The canonical SMILES for methyl (2R)-2-amino-2-(4-cyanophenyl)acetate is COC(=O)[C@H](N)c1ccc(C#N)cc1.
What is the InChIKey of methyl (2R)-2-amino-2-(4-cyanophenyl)acetate?
The InChIKey is MSZIDRYUSWJXBZ-SECBINFHSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-14-10(13)9(12)8-4-2-7(6-11)3-5-8/h2-5,9H,12H2,1H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-(4-cyanophenyl)acetate?
methyl (2R)-2-amino-2-(4-cyanophenyl)acetate has a molecular weight of 190.20 g/mol, XLogP of 0.73, 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-(4-cyanophenyl)acetate is sourced from PubChem (CID 58916884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).