(4R)-4-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one

C15H27N3O3 — CID 96512990

IUPAC(4R)-4-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@H](C(=O)N2C[C@@H](N(C)C)[C@@H](C)C2)CC1=O
InChIInChI=1S/C15H27N3O3/c1-11-8-18(10-13(11)16(2)3)15(20)12-7-14(19)17(9-12)5-6-21-4/h11-13H,5-10H2,1-4H3/t11-,12+,13+/m0/s1
InChIKeyRSVVPZMVKADPRZ-YNEHKIRRSA-N
MW297.40 g/mol
LogP-0.11
Rot. Bonds5

About (4R)-4-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one

(4R)-4-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 96512990) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is (4R)-4-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID96512990
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name(4R)-4-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@H](C(=O)N2C[C@@H](N(C)C)[C@@H](C)C2)CC1=O
InChIInChI=1S/C15H27N3O3/c1-11-8-18(10-13(11)16(2)3)15(20)12-7-14(19)17(9-12)5-6-21-4/h11-13H,5-10H2,1-4H3/t11-,12+,13+/m0/s1
InChIKeyRSVVPZMVKADPRZ-YNEHKIRRSA-N
XLogP-0.11
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one with MolForge

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Related Compounds

4-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]piperazine-2,6-dione
CID 66085744
(4R)-1-(2-methoxyethyl)-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 94046017
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate
CID 7061674
N-(2-hydroxypropyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 62333500
1-(2-methoxyethyl)-4-[4-(2,2,2-trifluoroacetyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 131904664
1-[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146797
4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 119621718
3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 60989328
1-(2-methoxyethyl)-N-methyl-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 131946273
1-(2-methoxyethyl)-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346315
4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 119661649

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 96512990) is (4R)-4-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1C[C@H](C(=O)N2C[C@@H](N(C)C)[C@@H](C)C2)CC1=O.
What is the InChIKey of (4R)-4-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is RSVVPZMVKADPRZ-YNEHKIRRSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11-8-18(10-13(11)16(2)3)15(20)12-7-14(19)17(9-12)5-6-21-4/h11-13H,5-10H2,1-4H3/t11-,12+,13+/m0/s1.
What are the key properties of (4R)-4-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
(4R)-4-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 297.40 g/mol, XLogP of -0.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 96512990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).