(2R,5S)-5-[3-(cyclopropylmethyl)-4-oxoimidazolidine-1-carbonyl]-N,N-dimethyloxolane-2-carboxamide

C15H23N3O4 — CID 136582087

IUPAC(2R,5S)-5-[3-(cyclopropylmethyl)-4-oxoimidazolidine-1-carbonyl]-N,N-dimethyloxolane-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC(=O)N(CC3CC3)C2)O1
InChIInChI=1S/C15H23N3O4/c1-16(2)14(20)11-5-6-12(22-11)15(21)18-8-13(19)17(9-18)7-10-3-4-10/h10-12H,3-9H2,1-2H3/t11-,12+/m1/s1
InChIKeyVSTMLJVDHNYHQR-NEPJUHHUSA-N
MW309.37 g/mol
LogP-0.34
Rot. Bonds4

About (2R,5S)-5-[3-(cyclopropylmethyl)-4-oxoimidazolidine-1-carbonyl]-N,N-dimethyloxolane-2-carboxamide

(2R,5S)-5-[3-(cyclopropylmethyl)-4-oxoimidazolidine-1-carbonyl]-N,N-dimethyloxolane-2-carboxamide (PubChem CID 136582087) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is (2R,5S)-5-[3-(cyclopropylmethyl)-4-oxoimidazolidine-1-carbonyl]-N,N-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,5S)-5-[3-(cyclopropylmethyl)-4-oxoimidazolidine-1-carbonyl]-N,N-dimethyloxolane-2-carboxamide
PubChem CID136582087
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name(2R,5S)-5-[3-(cyclopropylmethyl)-4-oxoimidazolidine-1-carbonyl]-N,N-dimethyloxolane-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC(=O)N(CC3CC3)C2)O1
InChIInChI=1S/C15H23N3O4/c1-16(2)14(20)11-5-6-12(22-11)15(21)18-8-13(19)17(9-18)7-10-3-4-10/h10-12H,3-9H2,1-2H3/t11-,12+/m1/s1
InChIKeyVSTMLJVDHNYHQR-NEPJUHHUSA-N
XLogP-0.34
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[3-(cyclopropylmethyl)-4-oxoimidazolidine-1-carbonyl]-N,N-dimethyloxolane-2-carboxamide?
The IUPAC name of (2R,5S)-5-[3-(cyclopropylmethyl)-4-oxoimidazolidine-1-carbonyl]-N,N-dimethyloxolane-2-carboxamide (CID 136582087) is (2R,5S)-5-[3-(cyclopropylmethyl)-4-oxoimidazolidine-1-carbonyl]-N,N-dimethyloxolane-2-carboxamide.
What is the SMILES notation for (2R,5S)-5-[3-(cyclopropylmethyl)-4-oxoimidazolidine-1-carbonyl]-N,N-dimethyloxolane-2-carboxamide?
The canonical SMILES for (2R,5S)-5-[3-(cyclopropylmethyl)-4-oxoimidazolidine-1-carbonyl]-N,N-dimethyloxolane-2-carboxamide is CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC(=O)N(CC3CC3)C2)O1.
What is the InChIKey of (2R,5S)-5-[3-(cyclopropylmethyl)-4-oxoimidazolidine-1-carbonyl]-N,N-dimethyloxolane-2-carboxamide?
The InChIKey is VSTMLJVDHNYHQR-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-16(2)14(20)11-5-6-12(22-11)15(21)18-8-13(19)17(9-18)7-10-3-4-10/h10-12H,3-9H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of (2R,5S)-5-[3-(cyclopropylmethyl)-4-oxoimidazolidine-1-carbonyl]-N,N-dimethyloxolane-2-carboxamide?
(2R,5S)-5-[3-(cyclopropylmethyl)-4-oxoimidazolidine-1-carbonyl]-N,N-dimethyloxolane-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of -0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[3-(cyclopropylmethyl)-4-oxoimidazolidine-1-carbonyl]-N,N-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 136582087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).