ethyl 2-[benzyl-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate

C17H22N2O4 — CID 95179574

IUPACethyl 2-[benzyl-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(C)C1
InChIInChI=1S/C17H22N2O4/c1-3-23-16(21)12-19(10-13-7-5-4-6-8-13)17(22)14-9-15(20)18(2)11-14/h4-8,14H,3,9-12H2,1-2H3/t14-/m1/s1
InChIKeyFBXWHXYJVDFMJK-CQSZACIVSA-N
MW318.37 g/mol
LogP1.06
Rot. Bonds6

About ethyl 2-[benzyl-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate

ethyl 2-[benzyl-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate (PubChem CID 95179574) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is ethyl 2-[benzyl-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate
PubChem CID95179574
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Nameethyl 2-[benzyl-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(C)C1
InChIInChI=1S/C17H22N2O4/c1-3-23-16(21)12-19(10-13-7-5-4-6-8-13)17(22)14-9-15(20)18(2)11-14/h4-8,14H,3,9-12H2,1-2H3/t14-/m1/s1
InChIKeyFBXWHXYJVDFMJK-CQSZACIVSA-N
XLogP1.06
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[benzyl-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 95179575
ethyl 2-[azetidine-2-carbonyl(benzyl)amino]acetate
CID 166245749
(3R)-N-benzyl-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 94641042
N-benzyl-N-ethyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 113185676
ethyl 2-[benzyl-(2-cyclobutylacetyl)amino]acetate
CID 103707142
N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 46110151
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
2-[ethyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid
CID 61022712
ethyl 2-[ethyl-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 61013053
ethyl 2-[benzyl(phenoxycarbonyl)amino]acetate
CID 163811694
4-[[methyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]benzoic acid
CID 60754710
(3R)-N-benzyl-N-ethyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9364935

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[benzyl-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate (CID 95179574) is ethyl 2-[benzyl-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[benzyl-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate is CCOC(=O)CN(Cc1ccccc1)C(=O)[C@@H]1CC(=O)N(C)C1.
What is the InChIKey of ethyl 2-[benzyl-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate?
The InChIKey is FBXWHXYJVDFMJK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-23-16(21)12-19(10-13-7-5-4-6-8-13)17(22)14-9-15(20)18(2)11-14/h4-8,14H,3,9-12H2,1-2H3/t14-/m1/s1.
What are the key properties of ethyl 2-[benzyl-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate?
ethyl 2-[benzyl-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate has a molecular weight of 318.37 g/mol, XLogP of 1.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate is sourced from PubChem (CID 95179574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).