methyl 3-[2-(3-hydroxypropyl)-5-oxopyrrolidin-2-yl]propanoate

C11H19NO4 — CID 588463

IUPACmethyl 3-[2-(3-hydroxypropyl)-5-oxopyrrolidin-2-yl]propanoate
SMILESCOC(=O)CCC1(CCCO)CCC(=O)N1
InChIInChI=1S/C11H19NO4/c1-16-10(15)4-7-11(5-2-8-13)6-3-9(14)12-11/h13H,2-8H2,1H3,(H,12,14)
InChIKeyXAQVDDDNAGDQER-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.36
Rot. Bonds6

About methyl 3-[2-(3-hydroxypropyl)-5-oxopyrrolidin-2-yl]propanoate

methyl 3-[2-(3-hydroxypropyl)-5-oxopyrrolidin-2-yl]propanoate (PubChem CID 588463) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 3-[2-(3-hydroxypropyl)-5-oxopyrrolidin-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(3-hydroxypropyl)-5-oxopyrrolidin-2-yl]propanoate
PubChem CID588463
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl 3-[2-(3-hydroxypropyl)-5-oxopyrrolidin-2-yl]propanoate
SMILESCOC(=O)CCC1(CCCO)CCC(=O)N1
InChIInChI=1S/C11H19NO4/c1-16-10(15)4-7-11(5-2-8-13)6-3-9(14)12-11/h13H,2-8H2,1H3,(H,12,14)
InChIKeyXAQVDDDNAGDQER-UHFFFAOYSA-N
XLogP0.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Methyl-5-oxopyrrolidin-2-yl)propanoic acid
CID 13011452
4-(2-Carboxyethyl)-4-(tetradecanoylamino)heptanedioic acid
CID 16129237
4-(2-Carboxyethyl)-4-(hexadecanoylamino)heptanedioic acid
CID 44572213
4-(2-Carboxyethyl)-4-(octadecanoylamino)heptanedioic acid
CID 44572214
4-(2-Carboxyethyl)-4-(icosanoylamino)heptanedioic acid
CID 44572386
4-(Henicosanoylamino)-4-methyl-heptanedioic acid
CID 54584286
4-Methyl-4-(tricosanoylamino)heptanedioic acid
CID 54585243
4-(2-Carboxyethyl)-4-(henicosanoylamino)heptanedioic acid
CID 54586206
4-(2-Carboxyethyl)-4-(pentadecanoylamino)heptanedioic acid
CID 71593287
4-(2-Carboxyethyl)-4-(heptadecanoylamino)heptanedioic acid
CID 71593288
4-Methyl-4-(pentadecanoylamino)heptanedioic acid
CID 71593303
4-(Heptadecanoylamino)-4-methyl-heptanedioic acid
CID 71593317

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(3-hydroxypropyl)-5-oxopyrrolidin-2-yl]propanoate?
The IUPAC name of methyl 3-[2-(3-hydroxypropyl)-5-oxopyrrolidin-2-yl]propanoate (CID 588463) is methyl 3-[2-(3-hydroxypropyl)-5-oxopyrrolidin-2-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(3-hydroxypropyl)-5-oxopyrrolidin-2-yl]propanoate?
The canonical SMILES for methyl 3-[2-(3-hydroxypropyl)-5-oxopyrrolidin-2-yl]propanoate is COC(=O)CCC1(CCCO)CCC(=O)N1.
What is the InChIKey of methyl 3-[2-(3-hydroxypropyl)-5-oxopyrrolidin-2-yl]propanoate?
The InChIKey is XAQVDDDNAGDQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-16-10(15)4-7-11(5-2-8-13)6-3-9(14)12-11/h13H,2-8H2,1H3,(H,12,14).
What are the key properties of methyl 3-[2-(3-hydroxypropyl)-5-oxopyrrolidin-2-yl]propanoate?
methyl 3-[2-(3-hydroxypropyl)-5-oxopyrrolidin-2-yl]propanoate has a molecular weight of 229.28 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(3-hydroxypropyl)-5-oxopyrrolidin-2-yl]propanoate is sourced from PubChem (CID 588463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).