ethyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-2-carboxylate

C10H17NO4 — CID 10965901

IUPACethyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@H](C(C)(C)O)C(=O)N1
InChIInChI=1S/C10H17NO4/c1-4-15-9(13)7-5-6(8(12)11-7)10(2,3)14/h6-7,14H,4-5H2,1-3H3,(H,11,12)/t6-,7+/m1/s1
InChIKeyUEZUIHUQOGZKPE-RQJHMYQMSA-N
MW215.25 g/mol
LogP-0.17
Rot. Bonds3

About ethyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-2-carboxylate

ethyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-2-carboxylate (PubChem CID 10965901) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-2-carboxylate
PubChem CID10965901
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nameethyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@@H](C(C)(C)O)C(=O)N1
InChIInChI=1S/C10H17NO4/c1-4-15-9(13)7-5-6(8(12)11-7)10(2,3)14/h6-7,14H,4-5H2,1-3H3,(H,11,12)/t6-,7+/m1/s1
InChIKeyUEZUIHUQOGZKPE-RQJHMYQMSA-N
XLogP-0.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl (2S,4S)-4-(2-hydroxypropan-2-yl)-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

Related Compounds

1'-Hydroxykainic acid
CID 195427
(2R,3R,4S)-3-(carboxymethyl)-3-methoxy-4-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 134838840
methyl (2R,3R,4S)-4-butyl-3-hydroxy-3-(2-methoxy-2-oxoethyl)-5-oxopyrrolidine-2-carboxylate
CID 134859578
Diethyl 5-oxo-3-(propan-2-yl)pyrrolidine-2,4-dicarboxylate
CID 290742
Tert-butyl 1-[3-(acetamidomethyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-4-(1,1-dihydroxyethyl)pyrrolidine-2-carboxylate
CID 142647162
ditert-butyl (2R)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-1,2-dicarboxylate
CID 172367591
Tert-butyl 4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-2-carboxylate
CID 172367611
ethyl (3S,4S,5S)-5-(hydroxymethyl)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyrrolidine-3-carboxylate
CID 10518386
1-O-tert-butyl 2-O-ethyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-1,2-dicarboxylate
CID 11109845
5-Ethoxycarbonyl-2-oxopyrrolidine-3-carboxylic acid
CID 11127306
1-O-tert-butyl 2-O-methyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-1,2-dicarboxylate
CID 11141142
tert-butyl (2S,4R)-4-(2-hydroxyethyl)-5-oxopyrrolidine-2-carboxylate
CID 11172244

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-2-carboxylate (CID 10965901) is ethyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-2-carboxylate is CCOC(=O)[C@@H]1C[C@@H](C(C)(C)O)C(=O)N1.
What is the InChIKey of ethyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is UEZUIHUQOGZKPE-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H17NO4/c1-4-15-9(13)7-5-6(8(12)11-7)10(2,3)14/h6-7,14H,4-5H2,1-3H3,(H,11,12)/t6-,7+/m1/s1.
What are the key properties of ethyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-2-carboxylate?
ethyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 215.25 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,4S)-4-(2-hydroxypropan-2-yl)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 10965901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).