methyl 3-methyl-2-[(5-oxopyrrolidin-2-yl)methylamino]butanoate

C11H20N2O3 — CID 105357507

IUPACmethyl 3-methyl-2-[(5-oxopyrrolidin-2-yl)methylamino]butanoate
SMILESCOC(=O)C(NCC1CCC(=O)N1)C(C)C
InChIInChI=1S/C11H20N2O3/c1-7(2)10(11(15)16-3)12-6-8-4-5-9(14)13-8/h7-8,10,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyGISMVJXRWUCFSX-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.05
Rot. Bonds5

About methyl 3-methyl-2-[(5-oxopyrrolidin-2-yl)methylamino]butanoate

methyl 3-methyl-2-[(5-oxopyrrolidin-2-yl)methylamino]butanoate (PubChem CID 105357507) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 3-methyl-2-[(5-oxopyrrolidin-2-yl)methylamino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(5-oxopyrrolidin-2-yl)methylamino]butanoate
PubChem CID105357507
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 3-methyl-2-[(5-oxopyrrolidin-2-yl)methylamino]butanoate
SMILESCOC(=O)C(NCC1CCC(=O)N1)C(C)C
InChIInChI=1S/C11H20N2O3/c1-7(2)10(11(15)16-3)12-6-8-4-5-9(14)13-8/h7-8,10,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyGISMVJXRWUCFSX-UHFFFAOYSA-N
XLogP0.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-3-methyl-2-(piperidin-2-ylmethylamino)butanoate
CID 106633362
(2R)-2-amino-3,3-dimethyl-N-[(5-oxopyrrolidin-2-yl)methyl]butanamide
CID 103930019
2,3-dimethyl-4-oxo-4-[(5-oxopyrrolidin-2-yl)methylamino]butanoic acid
CID 103498544
methyl (2S)-2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-methylbutanoate
CID 103276353
(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one
CID 139457807
methyl 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-3-methylbutanoate
CID 66417921
5-[(4-methylsulfanylbutan-2-ylamino)methyl]pyrrolidin-2-one
CID 107529971
4-hydroxy-N-[(5-oxopyrrolidin-2-yl)methyl]pentanamide
CID 79192403
methyl 3-methyl-2-(oxolan-2-ylmethylamino)butanoate
CID 43386449
5-[[1-(oxan-4-yl)ethylamino]methyl]pyrrolidin-2-one
CID 103902361
methyl 2-[(2S)-5-oxopyrrolidin-2-yl]acetate
CID 10877378
N-[(2S)-3-methyl-1-oxo-1-[[(2S)-5-oxopyrrolidin-2-yl]methylamino]butan-2-yl]thiophene-2-carboxamide
CID 95768963

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(5-oxopyrrolidin-2-yl)methylamino]butanoate?
The IUPAC name of methyl 3-methyl-2-[(5-oxopyrrolidin-2-yl)methylamino]butanoate (CID 105357507) is methyl 3-methyl-2-[(5-oxopyrrolidin-2-yl)methylamino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[(5-oxopyrrolidin-2-yl)methylamino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[(5-oxopyrrolidin-2-yl)methylamino]butanoate is COC(=O)C(NCC1CCC(=O)N1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[(5-oxopyrrolidin-2-yl)methylamino]butanoate?
The InChIKey is GISMVJXRWUCFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(2)10(11(15)16-3)12-6-8-4-5-9(14)13-8/h7-8,10,12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of methyl 3-methyl-2-[(5-oxopyrrolidin-2-yl)methylamino]butanoate?
methyl 3-methyl-2-[(5-oxopyrrolidin-2-yl)methylamino]butanoate has a molecular weight of 228.29 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[(5-oxopyrrolidin-2-yl)methylamino]butanoate is sourced from PubChem (CID 105357507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).