4-(2-methylpropyl)-1-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]pyrrolidin-2-one

C14H25NO6 — CID 22219238

IUPAC4-(2-methylpropyl)-1-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]pyrrolidin-2-one
SMILESCC(C)CC1CC(=O)N(CC2(O)OC(CO)C(O)C2O)C1
InChIInChI=1S/C14H25NO6/c1-8(2)3-9-4-11(17)15(5-9)7-14(20)13(19)12(18)10(6-16)21-14/h8-10,12-13,16,18-20H,3-7H2,1-2H3
InChIKeyBAZBIXRKAXNTCJ-UHFFFAOYSA-N
MW303.36 g/mol
LogP-1.32
Rot. Bonds5

About 4-(2-methylpropyl)-1-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]pyrrolidin-2-one

4-(2-methylpropyl)-1-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]pyrrolidin-2-one (PubChem CID 22219238) has the molecular formula C14H25NO6 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-methylpropyl)-1-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]pyrrolidin-2-one
PubChem CID22219238
Molecular FormulaC14H25NO6
Molecular Weight303.36 g/mol
Exact Mass303.17
IUPAC Name4-(2-methylpropyl)-1-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]pyrrolidin-2-one
SMILESCC(C)CC1CC(=O)N(CC2(O)OC(CO)C(O)C2O)C1
InChIInChI=1S/C14H25NO6/c1-8(2)3-9-4-11(17)15(5-9)7-14(20)13(19)12(18)10(6-16)21-14/h8-10,12-13,16,18-20H,3-7H2,1-2H3
InChIKeyBAZBIXRKAXNTCJ-UHFFFAOYSA-N
XLogP-1.32
TPSA110.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-(2-methylpropyl)-1-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]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 4-(2-methylpropyl)-1-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-(2-methylpropyl)-1-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]pyrrolidin-2-one (CID 22219238) is 4-(2-methylpropyl)-1-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(2-methylpropyl)-1-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(2-methylpropyl)-1-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]pyrrolidin-2-one is CC(C)CC1CC(=O)N(CC2(O)OC(CO)C(O)C2O)C1.
What is the InChIKey of 4-(2-methylpropyl)-1-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]pyrrolidin-2-one?
The InChIKey is BAZBIXRKAXNTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO6/c1-8(2)3-9-4-11(17)15(5-9)7-14(20)13(19)12(18)10(6-16)21-14/h8-10,12-13,16,18-20H,3-7H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)-1-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]pyrrolidin-2-one?
4-(2-methylpropyl)-1-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]pyrrolidin-2-one has a molecular weight of 303.36 g/mol, XLogP of -1.32, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 22219238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).