3-[(3S)-1-(2-oxoimidazolidine-1-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione

C11H14N4O5 — CID 100728419

IUPAC3-[(3S)-1-(2-oxoimidazolidine-1-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1NCCN1C(=O)N1CC[C@H](N2C(=O)COC2=O)C1
InChIInChI=1S/C11H14N4O5/c16-8-6-20-11(19)15(8)7-1-3-13(5-7)10(18)14-4-2-12-9(14)17/h7H,1-6H2,(H,12,17)/t7-/m0/s1
InChIKeyOXPVZSQNMPPZLK-ZETCQYMHSA-N
MW282.26 g/mol
LogP-0.82
Rot. Bonds1

About 3-[(3S)-1-(2-oxoimidazolidine-1-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione

3-[(3S)-1-(2-oxoimidazolidine-1-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione (PubChem CID 100728419) has the molecular formula C11H14N4O5 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-[(3S)-1-(2-oxoimidazolidine-1-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3S)-1-(2-oxoimidazolidine-1-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
PubChem CID100728419
Molecular FormulaC11H14N4O5
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name3-[(3S)-1-(2-oxoimidazolidine-1-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
SMILESO=C1NCCN1C(=O)N1CC[C@H](N2C(=O)COC2=O)C1
InChIInChI=1S/C11H14N4O5/c16-8-6-20-11(19)15(8)7-1-3-13(5-7)10(18)14-4-2-12-9(14)17/h7H,1-6H2,(H,12,17)/t7-/m0/s1
InChIKeyOXPVZSQNMPPZLK-ZETCQYMHSA-N
XLogP-0.82
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S)-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100726702
3-[1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 91814941
3-[(3R)-1-(2,2-diphenylacetyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727831
3-[(3S)-1-(2-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100726928
3-[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100726885
3-[(3R)-1-(5-bromofuran-2-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100728081
3-[(3S)-1-[2-(4-bromophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727878
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)imidazolidin-2-one
CID 121184114
3-[(3S)-1-(3-fluorobenzoyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727966
3-[(3R)-1-(9H-xanthene-9-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727451
3-[(3S)-1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione
CID 100727854
3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156485

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(2-oxoimidazolidine-1-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[(3S)-1-(2-oxoimidazolidine-1-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione (CID 100728419) is 3-[(3S)-1-(2-oxoimidazolidine-1-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[(3S)-1-(2-oxoimidazolidine-1-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[(3S)-1-(2-oxoimidazolidine-1-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione is O=C1NCCN1C(=O)N1CC[C@H](N2C(=O)COC2=O)C1.
What is the InChIKey of 3-[(3S)-1-(2-oxoimidazolidine-1-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
The InChIKey is OXPVZSQNMPPZLK-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14N4O5/c16-8-6-20-11(19)15(8)7-1-3-13(5-7)10(18)14-4-2-12-9(14)17/h7H,1-6H2,(H,12,17)/t7-/m0/s1.
What are the key properties of 3-[(3S)-1-(2-oxoimidazolidine-1-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione?
3-[(3S)-1-(2-oxoimidazolidine-1-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione has a molecular weight of 282.26 g/mol, XLogP of -0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(2-oxoimidazolidine-1-carbonyl)pyrrolidin-3-yl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 100728419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).