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

C33H56N6O10 — CID 161428490

IUPACmethyl (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
SMILESCC[C@@H](C(=O)O)N1CCCC1=O.CC[C@@H](C(=O)OC)N1CCCC1=O.CC[C@@H](C(N)=O)N1CCCC1=O.CC[C@H](C(N)=O)N1CCCC1=O
InChIInChI=1S/C9H15NO3.2C8H14N2O2.C8H13NO3/c1-3-7(9(12)13-2)10-6-4-5-8(10)11;2*1-2-6(8(9)12)10-5-3-4-7(10)11;1-2-6(8(11)12)9-5-3-4-7(9)10/h7H,3-6H2,1-2H3;2*6H,2-5H2,1H3,(H2,9,12);6H,2-5H2,1H3,(H,11,12)/t7-;3*6-/m0100/s1
InChIKeyVXRPIMSWWGIPSV-GEEVCDGYSA-N
MW696.84 g/mol
LogP0.78
Rot. Bonds12

About 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

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 (PubChem CID 161428490) has the molecular formula C33H56N6O10 and a molecular weight of 696.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl (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
PubChem CID161428490
Molecular FormulaC33H56N6O10
Molecular Weight696.84 g/mol
Exact Mass696.41
IUPAC Namemethyl (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
SMILESCC[C@@H](C(=O)O)N1CCCC1=O.CC[C@@H](C(=O)OC)N1CCCC1=O.CC[C@@H](C(N)=O)N1CCCC1=O.CC[C@H](C(N)=O)N1CCCC1=O
InChIInChI=1S/C9H15NO3.2C8H14N2O2.C8H13NO3/c1-3-7(9(12)13-2)10-6-4-5-8(10)11;2*1-2-6(8(9)12)10-5-3-4-7(10)11;1-2-6(8(11)12)9-5-3-4-7(9)10/h7H,3-6H2,1-2H3;2*6H,2-5H2,1H3,(H2,9,12);6H,2-5H2,1H3,(H,11,12)/t7-;3*6-/m0100/s1
InChIKeyVXRPIMSWWGIPSV-GEEVCDGYSA-N
XLogP0.78
TPSA231.02 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500696.84
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

methyl (2R)-2-(2-oxopyrrolidin-1-yl)butanoate
CID 68788045
2-(2-oxopyrrolidin-1-yl)butanamide;propane
CID 154648377
methyl 2-(2-oxoazetidin-1-yl)butanoate
CID 20617418
(2S)-2-hydroxy-2-phenylacetic acid;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 139145126
(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide
CID 68508171
(2R)-2-(2-oxopyrrolidin-1-yl)butanoic acid;(1S)-1-phenylethanamine
CID 162152790
butyl 2-(2-oxopyrrolidin-1-yl)butanoate
CID 142211549
(2R)-N-hydroxy-2-(2-oxopyrrolidin-1-yl)butanamide
CID 135817952
2-(2-oxopyrrolidin-1-yl)butanamide;(2S)-2-(2-oxopyrrolidin-1-yl)butanamide;2-(2-oxopyrrolidin-1-yl)but-2-enamide
CID 161254420
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
4-methylsulfanyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 14835914

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC[C@@H](C(=O)O)N1CCCC1=O.CC[C@@H](C(=O)OC)N1CCCC1=O.CC[C@@H](C(N)=O)N1CCCC1=O.CC[C@H](C(N)=O)N1CCCC1=O.
What is the InChIKey of 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?
The InChIKey is VXRPIMSWWGIPSV-GEEVCDGYSA-N. The full InChI is InChI=1S/C9H15NO3.2C8H14N2O2.C8H13NO3/c1-3-7(9(12)13-2)10-6-4-5-8(10)11;2*1-2-6(8(9)12)10-5-3-4-7(10)11;1-2-6(8(11)12)9-5-3-4-7(9)10/h7H,3-6H2,1-2H3;2*6H,2-5H2,1H3,(H2,9,12);6H,2-5H2,1H3,(H,11,12)/t7-;3*6-/m0100/s1.
What are the key properties of 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?
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 has a molecular weight of 696.84 g/mol, XLogP of 0.78, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161428490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).