methyl 2-[5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate

C20H22N2O3 — CID 118176639

IUPACmethyl 2-[5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate
SMILESCOC(=O)CC1(NCc2ccc(-c3ccccc3)cc2)CNC(=O)C1
InChIInChI=1S/C20H22N2O3/c1-25-19(24)12-20(11-18(23)21-14-20)22-13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,22H,11-14H2,1H3,(H,21,23)
InChIKeyRFWOTSJQXJSWOP-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.27
Rot. Bonds6

About methyl 2-[5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate

methyl 2-[5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate (PubChem CID 118176639) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is methyl 2-[5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate
PubChem CID118176639
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Namemethyl 2-[5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate
SMILESCOC(=O)CC1(NCc2ccc(-c3ccccc3)cc2)CNC(=O)C1
InChIInChI=1S/C20H22N2O3/c1-25-19(24)12-20(11-18(23)21-14-20)22-13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,22H,11-14H2,1H3,(H,21,23)
InChIKeyRFWOTSJQXJSWOP-UHFFFAOYSA-N
XLogP2.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 69206363
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methyl (3S)-3-hydroxy-4-(4-phenylphenyl)butanoate
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methyl 2-(benzylamino)-1,3-dihydroindene-2-carboxylate
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2-[3-[(4-bromophenyl)methylamino]azetidin-3-yl]acetic acid
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ethyl 2-[1-benzyl-4-(benzylamino)piperidin-4-yl]acetate
CID 22360002
methyl 3-[4-(N-[4-[4-[4-(3-methoxy-3-oxopropyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-4-phenylanilino)phenyl]propanoate
CID 22335995
4-methyl-N-[(4-phenylphenyl)methyl]oxan-4-amine
CID 115758046
2-[(4-phenylphenyl)methylamino]oxyacetamide
CID 112673244
ethyl N-[(4-phenylphenyl)methyl]carbamate
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N-(2-methoxyethyl)-2-(4-phenylphenyl)acetamide
CID 2094675

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate?
The IUPAC name of methyl 2-[5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate (CID 118176639) is methyl 2-[5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate?
The canonical SMILES for methyl 2-[5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate is COC(=O)CC1(NCc2ccc(-c3ccccc3)cc2)CNC(=O)C1.
What is the InChIKey of methyl 2-[5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate?
The InChIKey is RFWOTSJQXJSWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-25-19(24)12-20(11-18(23)21-14-20)22-13-15-7-9-17(10-8-15)16-5-3-2-4-6-16/h2-10,22H,11-14H2,1H3,(H,21,23).
What are the key properties of methyl 2-[5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate?
methyl 2-[5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate has a molecular weight of 338.41 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-oxo-3-[(4-phenylphenyl)methylamino]pyrrolidin-3-yl]acetate is sourced from PubChem (CID 118176639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).