[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate

C18H23N3O5 — CID 7898574

IUPAC[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
SMILESCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C18H23N3O5/c1-12(16(23)20-18(25)19-2)26-17(24)14-10-15(22)21(11-14)9-8-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H2,19,20,23,25)/t12-,14-/m1/s1
InChIKeyXWWPGSIEWIQCJT-TZMCWYRMSA-N
MW361.40 g/mol
LogP0.46
Rot. Bonds6

About [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate

[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate (PubChem CID 7898574) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
PubChem CID7898574
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
SMILESCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C18H23N3O5/c1-12(16(23)20-18(25)19-2)26-17(24)14-10-15(22)21(11-14)9-8-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H2,19,20,23,25)/t12-,14-/m1/s1
InChIKeyXWWPGSIEWIQCJT-TZMCWYRMSA-N
XLogP0.46
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898573
[1-(cyclohexylamino)-1-oxopropan-2-yl] 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 42902301
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7576788
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898561
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7798871
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3R)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7871499
[2-oxo-2-(propan-2-ylamino)ethyl] (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898522
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7871293
(4R)-4-acetyl-1-(2-phenylethyl)pyrrolidin-2-one
CID 71239800
phenacyl 5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 47004107
(2-amino-2-oxoethyl) (3S)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898644
[2-(benzylcarbamoylamino)-2-oxoethyl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 7898505

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate?
The IUPAC name of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate (CID 7898574) is [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate?
The canonical SMILES for [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate is CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate?
The InChIKey is XWWPGSIEWIQCJT-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-12(16(23)20-18(25)19-2)26-17(24)14-10-15(22)21(11-14)9-8-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H2,19,20,23,25)/t12-,14-/m1/s1.
What are the key properties of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate?
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate has a molecular weight of 361.40 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3R)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 7898574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).