(4S)-4-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one

C16H29N3O2 — CID 98791325

IUPAC(4S)-4-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
SMILESCC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C(C)C)C2)C[C@@H]1N(C)C
InChIInChI=1S/C16H29N3O2/c1-6-12-8-18(10-14(12)17(4)5)16(21)13-7-15(20)19(9-13)11(2)3/h11-14H,6-10H2,1-5H3/t12-,13+,14+/m1/s1
InChIKeyHGQKWBCUMCHDEJ-RDBSUJKOSA-N
MW295.43 g/mol
LogP1.04
Rot. Bonds4

About (4S)-4-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one

(4S)-4-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 98791325) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (4S)-4-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
PubChem CID98791325
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name(4S)-4-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
SMILESCC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C(C)C)C2)C[C@@H]1N(C)C
InChIInChI=1S/C16H29N3O2/c1-6-12-8-18(10-14(12)17(4)5)16(21)13-7-15(20)19(9-13)11(2)3/h11-14H,6-10H2,1-5H3/t12-,13+,14+/m1/s1
InChIKeyHGQKWBCUMCHDEJ-RDBSUJKOSA-N
XLogP1.04
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S)-4-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one with MolForge

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Related Compounds

4-(3,4-dihydroxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 106671002
(4R)-4-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 9400875
4-(3-methoxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 108754227
4-(dimethylsulfamoylamino)-1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidine
CID 108564907
3-[2-[(3R,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 97096904
4-(3-hydroxy-4-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 103900931
4-(4-hydroxy-3-methylpiperidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 114680088
1-butan-2-yl-5-oxopyrrolidine-3-carboxylic acid
CID 4777950
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one
CID 119646804
4-(4-hydroxy-4-methylazepane-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 107406810
1-(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 119355319
4-(4-benzoylpiperazine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 110346177

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one (CID 98791325) is (4S)-4-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one is CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(C(C)C)C2)C[C@@H]1N(C)C.
What is the InChIKey of (4S)-4-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is HGQKWBCUMCHDEJ-RDBSUJKOSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-6-12-8-18(10-14(12)17(4)5)16(21)13-7-15(20)19(9-13)11(2)3/h11-14H,6-10H2,1-5H3/t12-,13+,14+/m1/s1.
What are the key properties of (4S)-4-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one?
(4S)-4-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 295.43 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(3R,4R)-3-(dimethylamino)-4-ethylpyrrolidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 98791325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).