3-[2-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

C16H26N4O5 — CID 125012464

IUPAC3-[2-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(=O)N2CC[C@@](O)(CN3CCOCC3)C2)C1=O
InChIInChI=1S/C16H26N4O5/c1-15(2)13(22)20(14(23)17-15)9-12(21)19-4-3-16(24,11-19)10-18-5-7-25-8-6-18/h24H,3-11H2,1-2H3,(H,17,23)/t16-/m1/s1
InChIKeyVXSDCPJWKHOGEX-MRXNPFEDSA-N
MW354.41 g/mol
LogP-1.39
Rot. Bonds4

About 3-[2-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione

3-[2-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 125012464) has the molecular formula C16H26N4O5 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[2-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID125012464
Molecular FormulaC16H26N4O5
Molecular Weight354.41 g/mol
Exact Mass354.19
IUPAC Name3-[2-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CC(=O)N2CC[C@@](O)(CN3CCOCC3)C2)C1=O
InChIInChI=1S/C16H26N4O5/c1-15(2)13(22)20(14(23)17-15)9-12(21)19-4-3-16(24,11-19)10-18-5-7-25-8-6-18/h24H,3-11H2,1-2H3,(H,17,23)/t16-/m1/s1
InChIKeyVXSDCPJWKHOGEX-MRXNPFEDSA-N
XLogP-1.39
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[2-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 132649347
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 125011164
4-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 124977540
3-[2-[(4S)-4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 124977065
2-(3,5-dimethylpyrazol-1-yl)-1-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 125007709
3-[2-[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 110108289
5,5-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)imidazolidine-2,4-dione
CID 60655462
2-cyclopentyl-1-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 125007806
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 124943762
5-ethyl-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 60623070
2-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110098043
1-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 125017033

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 125012464) is 3-[2-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CC(=O)N2CC[C@@](O)(CN3CCOCC3)C2)C1=O.
What is the InChIKey of 3-[2-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is VXSDCPJWKHOGEX-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26N4O5/c1-15(2)13(22)20(14(23)17-15)9-12(21)19-4-3-16(24,11-19)10-18-5-7-25-8-6-18/h24H,3-11H2,1-2H3,(H,17,23)/t16-/m1/s1.
What are the key properties of 3-[2-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[2-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 354.41 g/mol, XLogP of -1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3R)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 125012464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).