methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate

C10H17NO3 — CID 104511120

IUPACmethyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate
SMILESCCCC1CC(=O)N(CC(=O)OC)C1
InChIInChI=1S/C10H17NO3/c1-3-4-8-5-9(12)11(6-8)7-10(13)14-2/h8H,3-7H2,1-2H3
InChIKeyIOOQUCBXRMFMOM-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.81
Rot. Bonds4

About methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate

methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate (PubChem CID 104511120) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate
PubChem CID104511120
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate
SMILESCCCC1CC(=O)N(CC(=O)OC)C1
InChIInChI=1S/C10H17NO3/c1-3-4-8-5-9(12)11(6-8)7-10(13)14-2/h8H,3-7H2,1-2H3
InChIKeyIOOQUCBXRMFMOM-UHFFFAOYSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoate
CID 174899063
1-(2-ethylphosphanyl-2-oxoethyl)-4-propylpyrrolidin-2-one
CID 143347806
methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate
CID 170372389
methyl 2-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]acetate
CID 86316250
ethyl 2-[(4R)-2-oxo-4-pentylpyrrolidin-1-yl]acetate
CID 68572704
4-propyl-1-[2-(sulfanylmethyl)prop-2-enyl]pyrrolidin-2-one
CID 103074087
methyl 2-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]acetate
CID 175386535
methyl 2-[(4R)-4-acetyloxy-2-oxopyrrolidin-1-yl]acetate
CID 10965896
3-(2-oxo-4-propylpyrrolidin-1-yl)propanehydrazide
CID 104512815
ethyl (E)-4-(2-oxo-4-propylpyrrolidin-1-yl)but-2-enoate
CID 104511107
1-(4-oxopentyl)-4-propylpyrrolidin-2-one
CID 104512085
2,2-dimethyl-3-(2-oxo-4-propylpyrrolidin-1-yl)propanoic acid
CID 104511137

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate?
The IUPAC name of methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate (CID 104511120) is methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate?
The canonical SMILES for methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate is CCCC1CC(=O)N(CC(=O)OC)C1.
What is the InChIKey of methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate?
The InChIKey is IOOQUCBXRMFMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-4-8-5-9(12)11(6-8)7-10(13)14-2/h8H,3-7H2,1-2H3.
What are the key properties of methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate?
methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate has a molecular weight of 199.25 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate is sourced from PubChem (CID 104511120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).