methyl 3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylate

C9H15NO5 — CID 20588526

IUPACmethyl 3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)C1(C(C)O)NC(=O)C(C)C1O
InChIInChI=1S/C9H15NO5/c1-4-6(12)9(5(2)11,8(14)15-3)10-7(4)13/h4-6,11-12H,1-3H3,(H,10,13)
InChIKeyOILKXZBWZWWTTA-UHFFFAOYSA-N
MW217.22 g/mol
LogP-1.59
Rot. Bonds2

About methyl 3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylate

methyl 3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylate (PubChem CID 20588526) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylate
PubChem CID20588526
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Namemethyl 3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)C1(C(C)O)NC(=O)C(C)C1O
InChIInChI=1S/C9H15NO5/c1-4-6(12)9(5(2)11,8(14)15-3)10-7(4)13/h4-6,11-12H,1-3H3,(H,10,13)
InChIKeyOILKXZBWZWWTTA-UHFFFAOYSA-N
XLogP-1.59
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 10977305
(2S,3S,4S)-2-[(1S)-1-benzoyloxy-2-methylpropyl]-3-hydroxy-4-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 11667159
(2S)-2-acetamido-3-[(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbonyl]sulfanylpropanoic acid
CID 59914176
diiodovanadium;(1R,4R,5S)-1-(1-hydroxyethyl)-4-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 158193630
methyl 3-(1-hydroxyethyl)bicyclo[1.1.1]pentane-1-carboxylate
CID 178027632
tetramethyl 3-propan-2-ylcyclopropane-1,1,2,2-tetracarboxylate
CID 14740171
methyl 2-(2,4,5-trioxoimidazolidin-1-yl)propanoate
CID 61499840
methyl (3aS,8aR)-6-acetyl-1,3-dioxo-3a,4,5,7,8,8a-hexahydrocyclopenta[f]isoindole-6-carboxylate
CID 10402013
[(3R)-2,2-dimethyl-4-oxoazetidin-3-yl] acetate
CID 59991126
dimethyl (2S,4R)-tetracyclo[3.2.0.02,7.04,6]heptane-1,6-dicarboxylate
CID 10727053
methyl (4S,5R)-5-fluoro-4-hydroxy-2,6-dioxo-1,3-diazinane-5-carboxylate
CID 12890664
methyl 6-oxo-1-propan-2-ylcyclohexa-2,4-diene-1-carboxylate
CID 13332544

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl 3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylate (CID 20588526) is methyl 3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl 3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylate is COC(=O)C1(C(C)O)NC(=O)C(C)C1O.
What is the InChIKey of methyl 3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylate?
The InChIKey is OILKXZBWZWWTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-4-6(12)9(5(2)11,8(14)15-3)10-7(4)13/h4-6,11-12H,1-3H3,(H,10,13).
What are the key properties of methyl 3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylate?
methyl 3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylate has a molecular weight of 217.22 g/mol, XLogP of -1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-(1-hydroxyethyl)-4-methyl-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 20588526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).