benzyl (5R)-2-oxo-5-(phenylcarbamoyl)pyrrolidine-1-carboxylate

C19H18N2O4 — CID 684653

IUPACbenzyl (5R)-2-oxo-5-(phenylcarbamoyl)pyrrolidine-1-carboxylate
SMILESO=C(Nc1ccccc1)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C19H18N2O4/c22-17-12-11-16(18(23)20-15-9-5-2-6-10-15)21(17)19(24)25-13-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,20,23)/t16-/m1/s1
InChIKeyMLLLYMYZTBOKQL-MRXNPFEDSA-N
MW338.36 g/mol
LogP2.95
Rot. Bonds4

About benzyl (5R)-2-oxo-5-(phenylcarbamoyl)pyrrolidine-1-carboxylate

benzyl (5R)-2-oxo-5-(phenylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 684653) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is benzyl (5R)-2-oxo-5-(phenylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (5R)-2-oxo-5-(phenylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID684653
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namebenzyl (5R)-2-oxo-5-(phenylcarbamoyl)pyrrolidine-1-carboxylate
SMILESO=C(Nc1ccccc1)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C19H18N2O4/c22-17-12-11-16(18(23)20-15-9-5-2-6-10-15)21(17)19(24)25-13-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,20,23)/t16-/m1/s1
InChIKeyMLLLYMYZTBOKQL-MRXNPFEDSA-N
XLogP2.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 688429
1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 11196673
benzyl 2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]-5-oxopyrrolidine-1-carboxylate
CID 3704549
benzyl (5R)-2-oxo-5-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 126005827
dibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate
CID 10642717
1-O-benzyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 54546875
(5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid
CID 156766666
dicyclohexylazanium;(2S)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylate
CID 121230078
4-oxo-1-phenylmethoxycarbonylazetidine-2-carboxylic acid
CID 71382493
benzyl (2S)-2-(3-diazo-2-oxopropanoyl)-5-oxopyrrolidine-1-carboxylate
CID 54304369
benzyl 2-[[4-(cyclopropanecarbonylamino)phenyl]-(1,3-thiazol-2-yl)carbamoyl]-5-oxopyrrolidine-1-carboxylate
CID 91584905
benzyl (3R)-3-(phenylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 40548466

Frequently Asked Questions

What is the IUPAC name of benzyl (5R)-2-oxo-5-(phenylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (5R)-2-oxo-5-(phenylcarbamoyl)pyrrolidine-1-carboxylate (CID 684653) is benzyl (5R)-2-oxo-5-(phenylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (5R)-2-oxo-5-(phenylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (5R)-2-oxo-5-(phenylcarbamoyl)pyrrolidine-1-carboxylate is O=C(Nc1ccccc1)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (5R)-2-oxo-5-(phenylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is MLLLYMYZTBOKQL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-17-12-11-16(18(23)20-15-9-5-2-6-10-15)21(17)19(24)25-13-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,20,23)/t16-/m1/s1.
What are the key properties of benzyl (5R)-2-oxo-5-(phenylcarbamoyl)pyrrolidine-1-carboxylate?
benzyl (5R)-2-oxo-5-(phenylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (5R)-2-oxo-5-(phenylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 684653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).