[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-(1-methoxybutan-2-yl)carbamate

C16H22N2O5 — CID 118570327

IUPAC[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-(1-methoxybutan-2-yl)carbamate
SMILESCCC(COC)NC(=O)O[C@@]1(O)CCN(c2ccccc2)C1=O
InChIInChI=1S/C16H22N2O5/c1-3-12(11-22-2)17-15(20)23-16(21)9-10-18(14(16)19)13-7-5-4-6-8-13/h4-8,12,21H,3,9-11H2,1-2H3,(H,17,20)/t12?,16-/m0/s1
InChIKeyGNNMUAJDIGSHEW-INSVYWFGSA-N
MW322.36 g/mol
LogP1.26
Rot. Bonds6

About [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-(1-methoxybutan-2-yl)carbamate

[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-(1-methoxybutan-2-yl)carbamate (PubChem CID 118570327) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-(1-methoxybutan-2-yl)carbamate.

Molecular Properties

Compound Name[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-(1-methoxybutan-2-yl)carbamate
PubChem CID118570327
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-(1-methoxybutan-2-yl)carbamate
SMILESCCC(COC)NC(=O)O[C@@]1(O)CCN(c2ccccc2)C1=O
InChIInChI=1S/C16H22N2O5/c1-3-12(11-22-2)17-15(20)23-16(21)9-10-18(14(16)19)13-7-5-4-6-8-13/h4-8,12,21H,3,9-11H2,1-2H3,(H,17,20)/t12?,16-/m0/s1
InChIKeyGNNMUAJDIGSHEW-INSVYWFGSA-N
XLogP1.26
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Carbetamide
CID 152031
Legurame
CID 27689
5-Fluoro-4-oxo-3-((S)-2-phenylcarbamoyloxy-propionylamino)-pentanoic acid
CID 44389871
oxalic acid;3-[3-(2-oxopyrrolidin-1-yl)propylamino]-N-phenylbutanamide
CID 16313412
(5R)-N-methyl-3-[4-(1,4-oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 44581215
N-((3-(4-fluorophenyl)-2-oxooxazolidin-5-yl)methyl)-2-methoxyacetamide
CID 16920712
2-(Dimethylamino)ethyl (1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl)carbamate
CID 18564473
[1-(2-oxopyrrolidin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-2-yl] N-ethylcarbamate
CID 24848545
2-methoxy-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 71839200
2-methoxy-N-(4-(2-oxopyrrolidin-1-yl)phenyl)acetamide
CID 7686432
N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenyl]-2-methoxy-acetamide
CID 485651
N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenyl]-2-hydroxy-acetamide
CID 485652

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-(1-methoxybutan-2-yl)carbamate?
The IUPAC name of [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-(1-methoxybutan-2-yl)carbamate (CID 118570327) is [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-(1-methoxybutan-2-yl)carbamate.
What is the SMILES notation for [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-(1-methoxybutan-2-yl)carbamate?
The canonical SMILES for [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-(1-methoxybutan-2-yl)carbamate is CCC(COC)NC(=O)O[C@@]1(O)CCN(c2ccccc2)C1=O.
What is the InChIKey of [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-(1-methoxybutan-2-yl)carbamate?
The InChIKey is GNNMUAJDIGSHEW-INSVYWFGSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-3-12(11-22-2)17-15(20)23-16(21)9-10-18(14(16)19)13-7-5-4-6-8-13/h4-8,12,21H,3,9-11H2,1-2H3,(H,17,20)/t12?,16-/m0/s1.
What are the key properties of [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-(1-methoxybutan-2-yl)carbamate?
[(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-(1-methoxybutan-2-yl)carbamate has a molecular weight of 322.36 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxy-2-oxo-1-phenylpyrrolidin-3-yl] N-(1-methoxybutan-2-yl)carbamate is sourced from PubChem (CID 118570327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).