methyl 1-(2-hydroxypropanoyl)-5-oxopyrrolidine-2-carboxylate

C9H13NO5 — CID 91397358

IUPACmethyl 1-(2-hydroxypropanoyl)-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCC(=O)N1C(=O)C(C)O
InChIInChI=1S/C9H13NO5/c1-5(11)8(13)10-6(9(14)15-2)3-4-7(10)12/h5-6,11H,3-4H2,1-2H3
InChIKeyLGXHSKSXQYWEDD-UHFFFAOYSA-N
MW215.20 g/mol
LogP-0.94
Rot. Bonds2

About methyl 1-(2-hydroxypropanoyl)-5-oxopyrrolidine-2-carboxylate

methyl 1-(2-hydroxypropanoyl)-5-oxopyrrolidine-2-carboxylate (PubChem CID 91397358) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is methyl 1-(2-hydroxypropanoyl)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxypropanoyl)-5-oxopyrrolidine-2-carboxylate
PubChem CID91397358
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Namemethyl 1-(2-hydroxypropanoyl)-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCC(=O)N1C(=O)C(C)O
InChIInChI=1S/C9H13NO5/c1-5(11)8(13)10-6(9(14)15-2)3-4-7(10)12/h5-6,11H,3-4H2,1-2H3
InChIKeyLGXHSKSXQYWEDD-UHFFFAOYSA-N
XLogP-0.94
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-1-(2-bromopropanoyl)-5-oxopyrrolidine-2-carboxylate
CID 101265890
methyl (2R)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate
CID 124604356
methyl 1-(chloromethyl)-5-oxopyrrolidine-2-carboxylate
CID 10583885
ethyl 1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-oxopyrrolidine-2-carboxylate
CID 175821432
methyl (2S)-5-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxylate
CID 56950772
methyl 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate
CID 13458635
methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate
CID 67459237
1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 11196673
methyl 5-oxo-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylate
CID 14038143
CID 59074453
CID 59074453
propan-2-yl 1-(2-acetyloxy-2-phenylacetyl)-5-oxopyrrolidine-2-carboxylate
CID 14038153
methyl (2S)-1-(cyanomethyl)-5-oxopyrrolidine-2-carboxylate;sulfane
CID 158958204

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxypropanoyl)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(2-hydroxypropanoyl)-5-oxopyrrolidine-2-carboxylate (CID 91397358) is methyl 1-(2-hydroxypropanoyl)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxypropanoyl)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxypropanoyl)-5-oxopyrrolidine-2-carboxylate is COC(=O)C1CCC(=O)N1C(=O)C(C)O.
What is the InChIKey of methyl 1-(2-hydroxypropanoyl)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is LGXHSKSXQYWEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5/c1-5(11)8(13)10-6(9(14)15-2)3-4-7(10)12/h5-6,11H,3-4H2,1-2H3.
What are the key properties of methyl 1-(2-hydroxypropanoyl)-5-oxopyrrolidine-2-carboxylate?
methyl 1-(2-hydroxypropanoyl)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 215.20 g/mol, XLogP of -0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxypropanoyl)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 91397358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).