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

C7H11NO4 — CID 13458635

IUPACmethyl 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCC(=O)N1CO
InChIInChI=1S/C7H11NO4/c1-12-7(11)5-2-3-6(10)8(5)4-9/h5,9H,2-4H2,1H3
InChIKeyRRPWACRFLUDMIE-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.90
Rot. Bonds2

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

methyl 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate (PubChem CID 13458635) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is methyl 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate
PubChem CID13458635
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Namemethyl 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCC(=O)N1CO
InChIInChI=1S/C7H11NO4/c1-12-7(11)5-2-3-6(10)8(5)4-9/h5,9H,2-4H2,1H3
InChIKeyRRPWACRFLUDMIE-UHFFFAOYSA-N
XLogP-0.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-ethyl-5-oxopyrrolidine-2-carboxylate
CID 67459237
methyl 1-(chloromethyl)-5-oxopyrrolidine-2-carboxylate
CID 10583885
methyl (2S)-1-(cyanomethyl)-5-oxopyrrolidine-2-carboxylate;sulfane
CID 158958204
methyl (2S)-5-oxo-1-(trimethylsilyloxymethyl)pyrrolidine-2-carboxylate
CID 10944700
methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-5-oxopyrrolidine-2-carboxylate
CID 153361350
methyl 5-oxo-1-(piperidin-3-ylmethyl)pyrrolidine-2-carboxylate
CID 121208947
methyl 1-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-5-oxopyrrolidine-2-carboxylate
CID 14254900
methyl (2S)-5-oxo-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidine-2-carboxylate
CID 129495138
(2S)-N-benzyl-1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxamide
CID 15682110
methyl (2S)-1-[(2,3-dibromo-4,5-dihydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate
CID 102351523
methyl 1-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate
CID 10570588
methyl (2R)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate
CID 124604356

Frequently Asked Questions

What is the IUPAC name of methyl 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate (CID 13458635) is methyl 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate is COC(=O)C1CCC(=O)N1CO.
What is the InChIKey of methyl 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is RRPWACRFLUDMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-12-7(11)5-2-3-6(10)8(5)4-9/h5,9H,2-4H2,1H3.
What are the key properties of methyl 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate?
methyl 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 173.17 g/mol, XLogP of -0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(hydroxymethyl)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 13458635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).