(3S)-1-[(2R)-1-methoxypropan-2-yl]-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C20H27N3O5 — CID 9373650

IUPAC(3S)-1-[(2R)-1-methoxypropan-2-yl]-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOC[C@@H](C)N1C[C@@H](C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1=O
InChIInChI=1S/C20H27N3O5/c1-14(13-27-2)23-12-15(11-18(23)24)19(25)21-17-6-4-3-5-16(17)20(26)22-7-9-28-10-8-22/h3-6,14-15H,7-13H2,1-2H3,(H,21,25)/t14-,15+/m1/s1
InChIKeyCUGXMXMUESHZMT-CABCVRRESA-N
MW389.45 g/mol
LogP0.98
Rot. Bonds6

About (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-[(2R)-1-methoxypropan-2-yl]-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 9373650) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2R)-1-methoxypropan-2-yl]-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID9373650
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name(3S)-1-[(2R)-1-methoxypropan-2-yl]-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOC[C@@H](C)N1C[C@@H](C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1=O
InChIInChI=1S/C20H27N3O5/c1-14(13-27-2)23-12-15(11-18(23)24)19(25)21-17-6-4-3-5-16(17)20(26)22-7-9-28-10-8-22/h3-6,14-15H,7-13H2,1-2H3,(H,21,25)/t14-,15+/m1/s1
InChIKeyCUGXMXMUESHZMT-CABCVRRESA-N
XLogP0.98
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[(3R)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9365051
(3S)-N-(2-chlorophenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365110
(3S)-N-(2-chlorophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365109
(3S)-N-(2-bromophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365320
(3S)-N-[2-[(2S)-butan-2-yl]phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365348
(3R)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9373789
(3R)-1-[(2R)-1-methoxypropan-2-yl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9364904
(3R)-N-(2,3-dichlorophenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365195
(3R)-N-[2-(3-ethoxypropylcarbamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9373718
(3R)-1-(4-methylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 7356940
1-cyclopentyl-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 2959439
1-(3,5-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17120978

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 9373650) is (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide is COC[C@@H](C)N1C[C@@H](C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1=O.
What is the InChIKey of (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CUGXMXMUESHZMT-CABCVRRESA-N. The full InChI is InChI=1S/C20H27N3O5/c1-14(13-27-2)23-12-15(11-18(23)24)19(25)21-17-6-4-3-5-16(17)20(26)22-7-9-28-10-8-22/h3-6,14-15H,7-13H2,1-2H3,(H,21,25)/t14-,15+/m1/s1.
What are the key properties of (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-[(2R)-1-methoxypropan-2-yl]-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2R)-1-methoxypropan-2-yl]-N-[2-(morpholine-4-carbonyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9373650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).