methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate

C9H15NO3 — CID 68788045

IUPACmethyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate
SMILESCC[C@H](C(=O)OC)N1CCCC1=O
InChIInChI=1S/C9H15NO3/c1-3-7(9(12)13-2)10-6-4-5-8(10)11/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyQRQVFVYABBZXFO-SSDOTTSWSA-N
MW185.22 g/mol
LogP0.56
Rot. Bonds3

About methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate

methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate (PubChem CID 68788045) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate
PubChem CID68788045
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate
SMILESCC[C@H](C(=O)OC)N1CCCC1=O
InChIInChI=1S/C9H15NO3/c1-3-7(9(12)13-2)10-6-4-5-8(10)11/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyQRQVFVYABBZXFO-SSDOTTSWSA-N
XLogP0.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate 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

methyl (2S)-2-(2-oxopyrrolidin-1-yl)butanoate;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;(2R)-2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanoic acid
CID 161428490
methyl 2-(2-oxoazetidin-1-yl)butanoate
CID 20617418
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377
butyl 2-(2-oxopyrrolidin-1-yl)butanoate
CID 142211549
(2R)-N-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
CID 135817952
methyl (2S)-2-[(4-ethoxy-4-oxobutyl)amino]butanoate;methyl 2-(2-oxopyrrolidin-1-yl)butanoate
CID 159535792
methyl 2-hydroxy-2-(2-oxopyrrolidin-1-yl)acetate
CID 139781503
amino 2-(2-oxopyrrolidin-1-yl)pentanoate
CID 90161932
1-O-methyl 4-O-(2-methylpropyl) 2,3-bis[1-(2-oxopyrrolidin-1-yl)propyl]butanedioate
CID 121247806
(2R)-N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 129428982
2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;2-(2-oxopyrrolidin-1-yl)but-2-enamide
CID 161254420
N-(1-cyanopropan-2-yl)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 75374671

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate?
The IUPAC name of methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate (CID 68788045) is methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate.
What is the SMILES notation for methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate?
The canonical SMILES for methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate is CC[C@H](C(=O)OC)N1CCCC1=O.
What is the InChIKey of methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate?
The InChIKey is QRQVFVYABBZXFO-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-7(9(12)13-2)10-6-4-5-8(10)11/h7H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate?
methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate has a molecular weight of 185.22 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate is sourced from PubChem (CID 68788045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).