(4S)-4-[(3R)-2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)cyclobutyl]pyrrolidin-2-one

C14H23NO3 — CID 102244957

IUPAC(4S)-4-[(3R)-2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)cyclobutyl]pyrrolidin-2-one
SMILESCC1([C@@H]2CC([C@H]3CNC(=O)C3)C2(C)C)OCCO1
InChIInChI=1S/C14H23NO3/c1-13(2)10(9-6-12(16)15-8-9)7-11(13)14(3)17-4-5-18-14/h9-11H,4-8H2,1-3H3,(H,15,16)/t9-,10?,11-/m1/s1
InChIKeyJAKFXDTVHBADHJ-GLYLRITDSA-N
MW253.34 g/mol
LogP1.55
Rot. Bonds2

About (4S)-4-[(3R)-2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)cyclobutyl]pyrrolidin-2-one

(4S)-4-[(3R)-2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)cyclobutyl]pyrrolidin-2-one (PubChem CID 102244957) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (4S)-4-[(3R)-2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)cyclobutyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(3R)-2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)cyclobutyl]pyrrolidin-2-one
PubChem CID102244957
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(4S)-4-[(3R)-2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)cyclobutyl]pyrrolidin-2-one
SMILESCC1([C@@H]2CC([C@H]3CNC(=O)C3)C2(C)C)OCCO1
InChIInChI=1S/C14H23NO3/c1-13(2)10(9-6-12(16)15-8-9)7-11(13)14(3)17-4-5-18-14/h9-11H,4-8H2,1-3H3,(H,15,16)/t9-,10?,11-/m1/s1
InChIKeyJAKFXDTVHBADHJ-GLYLRITDSA-N
XLogP1.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-4-[(3R)-2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)cyclobutyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(3R)-2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)cyclobutyl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(3R)-2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)cyclobutyl]pyrrolidin-2-one (CID 102244957) is (4S)-4-[(3R)-2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)cyclobutyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(3R)-2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)cyclobutyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(3R)-2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)cyclobutyl]pyrrolidin-2-one is CC1([C@@H]2CC([C@H]3CNC(=O)C3)C2(C)C)OCCO1.
What is the InChIKey of (4S)-4-[(3R)-2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)cyclobutyl]pyrrolidin-2-one?
The InChIKey is JAKFXDTVHBADHJ-GLYLRITDSA-N. The full InChI is InChI=1S/C14H23NO3/c1-13(2)10(9-6-12(16)15-8-9)7-11(13)14(3)17-4-5-18-14/h9-11H,4-8H2,1-3H3,(H,15,16)/t9-,10?,11-/m1/s1.
What are the key properties of (4S)-4-[(3R)-2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)cyclobutyl]pyrrolidin-2-one?
(4S)-4-[(3R)-2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)cyclobutyl]pyrrolidin-2-one has a molecular weight of 253.34 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(3R)-2,2-dimethyl-3-(2-methyl-1,3-dioxolan-2-yl)cyclobutyl]pyrrolidin-2-one is sourced from PubChem (CID 102244957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).