2-methoxy-3-oxo-3-pyrrolidin-1-ylpropanoic acid

C8H13NO4 — CID 153379158

IUPAC2-methoxy-3-oxo-3-pyrrolidin-1-ylpropanoic acid
SMILESCOC(C(=O)O)C(=O)N1CCCC1
InChIInChI=1S/C8H13NO4/c1-13-6(8(11)12)7(10)9-4-2-3-5-9/h6H,2-5H2,1H3,(H,11,12)
InChIKeyQJTXEYDDUMMILL-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.29
Rot. Bonds3

About 2-methoxy-3-oxo-3-pyrrolidin-1-ylpropanoic acid

2-methoxy-3-oxo-3-pyrrolidin-1-ylpropanoic acid (PubChem CID 153379158) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-methoxy-3-oxo-3-pyrrolidin-1-ylpropanoic acid.

Molecular Properties

Compound Name2-methoxy-3-oxo-3-pyrrolidin-1-ylpropanoic acid
PubChem CID153379158
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-methoxy-3-oxo-3-pyrrolidin-1-ylpropanoic acid
SMILESCOC(C(=O)O)C(=O)N1CCCC1
InChIInChI=1S/C8H13NO4/c1-13-6(8(11)12)7(10)9-4-2-3-5-9/h6H,2-5H2,1H3,(H,11,12)
InChIKeyQJTXEYDDUMMILL-UHFFFAOYSA-N
XLogP-0.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-oxo-3-pyrrolidin-1-ylpropanoic acid
CID 175285259
4-hydroxy-2-methoxy-1-pyrrolidin-1-ylbutan-1-one
CID 102568032
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
4-hydroxy-2-methoxy-1-piperidin-1-ylbutan-1-one
CID 102568031
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
2-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 43086548
2-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfinylpropanoic acid
CID 54883842
2-chloro-1-pyrrolidin-1-ylpropan-1-one
CID 3276100
(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one
CID 130736139
(2R)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 91806212
1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 163844566
(2R)-2-(2-methoxyethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 7437225

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-oxo-3-pyrrolidin-1-ylpropanoic acid?
The IUPAC name of 2-methoxy-3-oxo-3-pyrrolidin-1-ylpropanoic acid (CID 153379158) is 2-methoxy-3-oxo-3-pyrrolidin-1-ylpropanoic acid.
What is the SMILES notation for 2-methoxy-3-oxo-3-pyrrolidin-1-ylpropanoic acid?
The canonical SMILES for 2-methoxy-3-oxo-3-pyrrolidin-1-ylpropanoic acid is COC(C(=O)O)C(=O)N1CCCC1.
What is the InChIKey of 2-methoxy-3-oxo-3-pyrrolidin-1-ylpropanoic acid?
The InChIKey is QJTXEYDDUMMILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-13-6(8(11)12)7(10)9-4-2-3-5-9/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-methoxy-3-oxo-3-pyrrolidin-1-ylpropanoic acid?
2-methoxy-3-oxo-3-pyrrolidin-1-ylpropanoic acid has a molecular weight of 187.19 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-oxo-3-pyrrolidin-1-ylpropanoic acid is sourced from PubChem (CID 153379158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).