methyl (2R,3S,4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate

C11H19NO5 — CID 134962038

IUPACmethyl (2R,3S,4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)[C@]1(C(O)C(C)C)NC(=O)[C@H](C)[C@@H]1O
InChIInChI=1S/C11H19NO5/c1-5(2)7(13)11(10(16)17-4)8(14)6(3)9(15)12-11/h5-8,13-14H,1-4H3,(H,12,15)/t6-,7?,8+,11-/m1/s1
InChIKeyONXMGBPSJUZJNU-CSDHVOIESA-N
MW245.27 g/mol
LogP-0.96
Rot. Bonds3

About methyl (2R,3S,4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate

methyl (2R,3S,4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate (PubChem CID 134962038) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is methyl (2R,3S,4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S,4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate
PubChem CID134962038
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Namemethyl (2R,3S,4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)[C@]1(C(O)C(C)C)NC(=O)[C@H](C)[C@@H]1O
InChIInChI=1S/C11H19NO5/c1-5(2)7(13)11(10(16)17-4)8(14)6(3)9(15)12-11/h5-8,13-14H,1-4H3,(H,12,15)/t6-,7?,8+,11-/m1/s1
InChIKeyONXMGBPSJUZJNU-CSDHVOIESA-N
XLogP-0.96
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S,4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R,3S,4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate (CID 134962038) is methyl (2R,3S,4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R,3S,4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R,3S,4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate is COC(=O)[C@]1(C(O)C(C)C)NC(=O)[C@H](C)[C@@H]1O.
What is the InChIKey of methyl (2R,3S,4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate?
The InChIKey is ONXMGBPSJUZJNU-CSDHVOIESA-N. The full InChI is InChI=1S/C11H19NO5/c1-5(2)7(13)11(10(16)17-4)8(14)6(3)9(15)12-11/h5-8,13-14H,1-4H3,(H,12,15)/t6-,7?,8+,11-/m1/s1.
What are the key properties of methyl (2R,3S,4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate?
methyl (2R,3S,4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate has a molecular weight of 245.27 g/mol, XLogP of -0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S,4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 134962038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).