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

C11H19NO5 — CID 59977789

IUPACmethyl (4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)C1(C(O)C(C)C)NC(=O)[C@H](C)C1O
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-IVQBWCDJSA-N
MW245.27 g/mol
LogP-0.96
Rot. Bonds3

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

methyl (4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate (PubChem CID 59977789) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is methyl (4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate
PubChem CID59977789
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Namemethyl (4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)C1(C(O)C(C)C)NC(=O)[C@H](C)C1O
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-IVQBWCDJSA-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

Analyze methyl (4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-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

clasto-Lactacystin beta-lactone
CID 9794358
(1S,4R,5S)-1-[(1S)-1-Hydroxy-2-methylpropyl]-4-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 15283415
PS-519
CID 9877196
(4R,5S)-1-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 15283414
1-(1-Hydroxy-2-methylpropyl)-4-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 2779
(4s,5r)-1-(1-Hydroxy-2-methylpropyl)-4-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 188934
(3R,4S,5R)-4-Hydroxy-5-[(1S)-1-hydroxy-2-methylpropyl]-3-methyl-2-pyrrolidinone-5-carboxylic Acid
CID 10977305
Open formomuralide
CID 137350010
alpha-Methylomuralide
CID 10513481
(1S,4R,5R)-1-[(1R)-1-hydroxy-2-methylpropyl]-4-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 15283417
beta-Clastolactacystin; beta-Lactacystin; Omuralide
CID 146157377
(3R,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-D-proline
CID 25021189

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl (4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate (CID 59977789) is methyl (4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl (4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate is COC(=O)C1(C(O)C(C)C)NC(=O)[C@H](C)C1O.
What is the InChIKey of methyl (4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate?
The InChIKey is ONXMGBPSJUZJNU-IVQBWCDJSA-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 (4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate?
methyl (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 (4R)-3-hydroxy-2-(1-hydroxy-2-methylpropyl)-4-methyl-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 59977789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).