ethyl 2-[(1S)-1-hydroxy-2-methylpropyl]-5-oxopyrrolidine-2-carboxylate

C11H19NO4 — CID 134962002

IUPACethyl 2-[(1S)-1-hydroxy-2-methylpropyl]-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)C1([C@@H](O)C(C)C)CCC(=O)N1
InChIInChI=1S/C11H19NO4/c1-4-16-10(15)11(9(14)7(2)3)6-5-8(13)12-11/h7,9,14H,4-6H2,1-3H3,(H,12,13)/t9-,11?/m0/s1
InChIKeyWMAJPCQVZVWIGD-FTNKSUMCSA-N
MW229.28 g/mol
LogP0.22
Rot. Bonds4

About ethyl 2-[(1S)-1-hydroxy-2-methylpropyl]-5-oxopyrrolidine-2-carboxylate

ethyl 2-[(1S)-1-hydroxy-2-methylpropyl]-5-oxopyrrolidine-2-carboxylate (PubChem CID 134962002) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 2-[(1S)-1-hydroxy-2-methylpropyl]-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1S)-1-hydroxy-2-methylpropyl]-5-oxopyrrolidine-2-carboxylate
PubChem CID134962002
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nameethyl 2-[(1S)-1-hydroxy-2-methylpropyl]-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)C1([C@@H](O)C(C)C)CCC(=O)N1
InChIInChI=1S/C11H19NO4/c1-4-16-10(15)11(9(14)7(2)3)6-5-8(13)12-11/h7,9,14H,4-6H2,1-3H3,(H,12,13)/t9-,11?/m0/s1
InChIKeyWMAJPCQVZVWIGD-FTNKSUMCSA-N
XLogP0.22
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(1S)-1-hydroxy-2-methylpropyl]-5-oxopyrrolidine-2-carboxylate 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 ethyl 2-[(1S)-1-hydroxy-2-methylpropyl]-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of ethyl 2-[(1S)-1-hydroxy-2-methylpropyl]-5-oxopyrrolidine-2-carboxylate (CID 134962002) is ethyl 2-[(1S)-1-hydroxy-2-methylpropyl]-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 2-[(1S)-1-hydroxy-2-methylpropyl]-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 2-[(1S)-1-hydroxy-2-methylpropyl]-5-oxopyrrolidine-2-carboxylate is CCOC(=O)C1([C@@H](O)C(C)C)CCC(=O)N1.
What is the InChIKey of ethyl 2-[(1S)-1-hydroxy-2-methylpropyl]-5-oxopyrrolidine-2-carboxylate?
The InChIKey is WMAJPCQVZVWIGD-FTNKSUMCSA-N. The full InChI is InChI=1S/C11H19NO4/c1-4-16-10(15)11(9(14)7(2)3)6-5-8(13)12-11/h7,9,14H,4-6H2,1-3H3,(H,12,13)/t9-,11?/m0/s1.
What are the key properties of ethyl 2-[(1S)-1-hydroxy-2-methylpropyl]-5-oxopyrrolidine-2-carboxylate?
ethyl 2-[(1S)-1-hydroxy-2-methylpropyl]-5-oxopyrrolidine-2-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1S)-1-hydroxy-2-methylpropyl]-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 134962002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).