methyl 2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate

C12H20N2O5 — CID 91713185

IUPACmethyl 2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCCCOC(=O)CNC(=O)C1CCCN1C(=O)OC
InChIInChI=1S/C12H20N2O5/c1-3-7-19-10(15)8-13-11(16)9-5-4-6-14(9)12(17)18-2/h9H,3-8H2,1-2H3,(H,13,16)
InChIKeyLBUMXWBUMOICIS-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.29
Rot. Bonds5

About methyl 2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate

methyl 2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 91713185) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID91713185
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Namemethyl 2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCCCOC(=O)CNC(=O)C1CCCN1C(=O)OC
InChIInChI=1S/C12H20N2O5/c1-3-7-19-10(15)8-13-11(16)9-5-4-6-14(9)12(17)18-2/h9H,3-8H2,1-2H3,(H,13,16)
InChIKeyLBUMXWBUMOICIS-UHFFFAOYSA-N
XLogP0.29
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ala-Pro-Gly
CID 11902903
H-Ala-Gly-Pro-Ala-OMe
CID 155536309
H-Ala-Gly-Pro-Ala-Gly-OMe
CID 155536953
1-Boc-2-(2-methoxy-2-oxoethylcarbamoyl)pyrrolidine
CID 292449
H-Ala-pro-ala-OH
CID 9816556
Dimethylaminoethanol pyroglutamate
CID 129849576
2-[(Pyrrolidinium-2-ylcarbonyl)amino]propanoate
CID 44369241
2-(((2S)-1-((tert-butoxy)carbonyl)pyrrolidin-2-yl)formamido)acetic acid
CID 7019896
methyl 2-(((2S)-pyrrolidin-2-yl)formamido)acetate hydrochloride
CID 13273161
Alanylprolylglycine zwitterion
CID 11902902
Tert-butyl 2-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-1-carboxylate
CID 16725155
Ac-Ala-Ala-Pro-Ala-OAla-OEt
CID 90677668

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate (CID 91713185) is methyl 2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate is CCCOC(=O)CNC(=O)C1CCCN1C(=O)OC.
What is the InChIKey of methyl 2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is LBUMXWBUMOICIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-3-7-19-10(15)8-13-11(16)9-5-4-6-14(9)12(17)18-2/h9H,3-8H2,1-2H3,(H,13,16).
What are the key properties of methyl 2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate?
methyl 2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-oxo-2-propoxyethyl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 91713185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).