methyl (2S)-2-anilino-2-phenyl-2-pyrrolidin-3-ylacetate

C19H22N2O2 — CID 142788300

IUPACmethyl (2S)-2-anilino-2-phenyl-2-pyrrolidin-3-ylacetate
SMILESCOC(=O)[C@@](Nc1ccccc1)(c1ccccc1)C1CCNC1
InChIInChI=1S/C19H22N2O2/c1-23-18(22)19(16-12-13-20-14-16,15-8-4-2-5-9-15)21-17-10-6-3-7-11-17/h2-11,16,20-21H,12-14H2,1H3/t16?,19-/m1/s1
InChIKeyWINPZYBOWLWTGW-LRTDYKAYSA-N
MW310.40 g/mol
LogP2.78
Rot. Bonds5

About methyl (2S)-2-anilino-2-phenyl-2-pyrrolidin-3-ylacetate

methyl (2S)-2-anilino-2-phenyl-2-pyrrolidin-3-ylacetate (PubChem CID 142788300) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is methyl (2S)-2-anilino-2-phenyl-2-pyrrolidin-3-ylacetate.

Molecular Properties

Compound Namemethyl (2S)-2-anilino-2-phenyl-2-pyrrolidin-3-ylacetate
PubChem CID142788300
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Namemethyl (2S)-2-anilino-2-phenyl-2-pyrrolidin-3-ylacetate
SMILESCOC(=O)[C@@](Nc1ccccc1)(c1ccccc1)C1CCNC1
InChIInChI=1S/C19H22N2O2/c1-23-18(22)19(16-12-13-20-14-16,15-8-4-2-5-9-15)21-17-10-6-3-7-11-17/h2-11,16,20-21H,12-14H2,1H3/t16?,19-/m1/s1
InChIKeyWINPZYBOWLWTGW-LRTDYKAYSA-N
XLogP2.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-anilino-2-(1-methylpyrrolidin-3-yl)-2-phenylacetyl] 2-anilino-2-(1-methylpiperidin-4-yl)-2-phenylacetate
CID 90920080
methyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate
CID 115002579
2-cyclopentyl-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 10515617
(2S)-2-cyclohexyl-2-phenyl-2-pyrrolidin-3-ylacetamide
CID 66858863
methyl 2-cyclopropyl-2-phenylpropanoate
CID 131845988
methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
CID 23323992
3-[(1R)-1-phenoxy-1-phenylethyl]pyrrolidine
CID 147466437
(1S)-1-phenyl-1-[(3R)-pyrrolidin-3-yl]propan-1-ol
CID 124705714
2-piperidin-4-ylpropan-2-yl 2-hydroxy-2,2-diphenylacetate
CID 155076034
3-(1-hydroxy-1-pyrrolidin-3-ylethyl)benzoic acid
CID 115040778
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070
methyl 2-methyl-2-[(3S)-pyrrolidin-3-yl]propanoate;2,2,2-trifluoroacetic acid
CID 175791959

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-anilino-2-phenyl-2-pyrrolidin-3-ylacetate?
The IUPAC name of methyl (2S)-2-anilino-2-phenyl-2-pyrrolidin-3-ylacetate (CID 142788300) is methyl (2S)-2-anilino-2-phenyl-2-pyrrolidin-3-ylacetate.
What is the SMILES notation for methyl (2S)-2-anilino-2-phenyl-2-pyrrolidin-3-ylacetate?
The canonical SMILES for methyl (2S)-2-anilino-2-phenyl-2-pyrrolidin-3-ylacetate is COC(=O)[C@@](Nc1ccccc1)(c1ccccc1)C1CCNC1.
What is the InChIKey of methyl (2S)-2-anilino-2-phenyl-2-pyrrolidin-3-ylacetate?
The InChIKey is WINPZYBOWLWTGW-LRTDYKAYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-18(22)19(16-12-13-20-14-16,15-8-4-2-5-9-15)21-17-10-6-3-7-11-17/h2-11,16,20-21H,12-14H2,1H3/t16?,19-/m1/s1.
What are the key properties of methyl (2S)-2-anilino-2-phenyl-2-pyrrolidin-3-ylacetate?
methyl (2S)-2-anilino-2-phenyl-2-pyrrolidin-3-ylacetate has a molecular weight of 310.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-anilino-2-phenyl-2-pyrrolidin-3-ylacetate is sourced from PubChem (CID 142788300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).