(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(2-oxobutylamino)pyrrolidin-2-one

C15H25N3O4 — CID 167012021

IUPAC(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(2-oxobutylamino)pyrrolidin-2-one
SMILESCCC(=O)CN[C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O
InChIInChI=1S/C15H25N3O4/c1-3-12(19)10-16-13-4-5-18(15(13)21)11(2)14(20)17-6-8-22-9-7-17/h11,13,16H,3-10H2,1-2H3/t11-,13-/m0/s1
InChIKeyMNNGQJTZYXSHHJ-AAEUAGOBSA-N
MW311.38 g/mol
LogP-0.60
Rot. Bonds6

About (3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(2-oxobutylamino)pyrrolidin-2-one

(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(2-oxobutylamino)pyrrolidin-2-one (PubChem CID 167012021) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is (3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(2-oxobutylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(2-oxobutylamino)pyrrolidin-2-one
PubChem CID167012021
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(2-oxobutylamino)pyrrolidin-2-one
SMILESCCC(=O)CN[C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O
InChIInChI=1S/C15H25N3O4/c1-3-12(19)10-16-13-4-5-18(15(13)21)11(2)14(20)17-6-8-22-9-7-17/h11,13,16H,3-10H2,1-2H3/t11-,13-/m0/s1
InChIKeyMNNGQJTZYXSHHJ-AAEUAGOBSA-N
XLogP-0.60
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(2-oxobutylamino)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 69056359
2-(4-chlorophenyl)-2,2-difluoro-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
CID 58677347
(3S)-1-[(2R)-3-ethylsulfanyl-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(methylamino)pyrrolidin-2-one
CID 58677294
2-(5-chlorothiophen-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethenesulfonamide
CID 90933936
(Z)-2-(4-chlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]prop-1-ene-1-sulfonamide
CID 69152516
[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxo-3-propan-2-yloxypropan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid
CID 69153919
2-(2,4-dichlorophenyl)-N-[(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]ethanesulfonamide
CID 58677334
[(3S)-1-[(2S)-3-ethoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid
CID 69152376
[(3S)-1-[(2S,3R)-3-methoxy-1-morpholin-4-yl-1-oxobutan-2-yl]-2-oxopyrrolidin-3-yl]carbamic acid
CID 69153138
5-chloro-N-[(3S)-1-(1-morpholin-4-yl-1-oxopropan-2-yl)-2-oxopyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide
CID 138692922
5-(5-chloro-1,3,4-thiadiazol-2-yl)-N-[1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 91037788
tert-butyl N-[(3S)-1-[(2S)-3-ethoxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]carbamate
CID 67554666

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(2-oxobutylamino)pyrrolidin-2-one?
The IUPAC name of (3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(2-oxobutylamino)pyrrolidin-2-one (CID 167012021) is (3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(2-oxobutylamino)pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(2-oxobutylamino)pyrrolidin-2-one?
The canonical SMILES for (3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(2-oxobutylamino)pyrrolidin-2-one is CCC(=O)CN[C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O.
What is the InChIKey of (3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(2-oxobutylamino)pyrrolidin-2-one?
The InChIKey is MNNGQJTZYXSHHJ-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H25N3O4/c1-3-12(19)10-16-13-4-5-18(15(13)21)11(2)14(20)17-6-8-22-9-7-17/h11,13,16H,3-10H2,1-2H3/t11-,13-/m0/s1.
What are the key properties of (3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(2-oxobutylamino)pyrrolidin-2-one?
(3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(2-oxobutylamino)pyrrolidin-2-one has a molecular weight of 311.38 g/mol, XLogP of -0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-(2-oxobutylamino)pyrrolidin-2-one is sourced from PubChem (CID 167012021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).