methyl (2S,3S)-2-(3-methoxy-3-oxopropyl)pyrrolidine-3-carboxylate

C10H17NO4 — CID 11769862

IUPACmethyl (2S,3S)-2-(3-methoxy-3-oxopropyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)CC[C@@H]1NCC[C@@H]1C(=O)OC
InChIInChI=1S/C10H17NO4/c1-14-9(12)4-3-8-7(5-6-11-8)10(13)15-2/h7-8,11H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyUOQCZYNBWFGBIJ-YUMQZZPRSA-N
MW215.25 g/mol
LogP0.09
Rot. Bonds4

About methyl (2S,3S)-2-(3-methoxy-3-oxopropyl)pyrrolidine-3-carboxylate

methyl (2S,3S)-2-(3-methoxy-3-oxopropyl)pyrrolidine-3-carboxylate (PubChem CID 11769862) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl (2S,3S)-2-(3-methoxy-3-oxopropyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3S)-2-(3-methoxy-3-oxopropyl)pyrrolidine-3-carboxylate
PubChem CID11769862
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl (2S,3S)-2-(3-methoxy-3-oxopropyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)CC[C@@H]1NCC[C@@H]1C(=O)OC
InChIInChI=1S/C10H17NO4/c1-14-9(12)4-3-8-7(5-6-11-8)10(13)15-2/h7-8,11H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyUOQCZYNBWFGBIJ-YUMQZZPRSA-N
XLogP0.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-ethyl-3-methylpiperidine-4-carboxylate
CID 83915229
methyl 2-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 105450407
methyl (2R,3S)-3-(3-ethoxy-3-oxopropyl)piperazine-2-carboxylate
CID 118359809
methyl (2R,3R)-2-propan-2-ylpyrrolidine-3-carboxylate;hydrochloride
CID 122163643
methyl (2S,3S)-2-[(E)-3-ethoxy-3-oxoprop-1-enyl]pyrrolidine-3-carboxylate
CID 11195506
methyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate
CID 155820793
methyl 3-(4-oxoimidazolidin-2-yl)propanoate
CID 10464764
cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate
CID 14489527
methyl 3-(3-hydroxypiperidin-4-yl)propanoate
CID 105442552
methyl 3-piperidin-3-ylpropanoate;hydrochloride
CID 47000746
methyl 3-(piperidin-4-ylamino)propanoate
CID 54537076
methyl 2-phenylpyrrolidine-3-carboxylate
CID 12955149

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-2-(3-methoxy-3-oxopropyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl (2S,3S)-2-(3-methoxy-3-oxopropyl)pyrrolidine-3-carboxylate (CID 11769862) is methyl (2S,3S)-2-(3-methoxy-3-oxopropyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (2S,3S)-2-(3-methoxy-3-oxopropyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl (2S,3S)-2-(3-methoxy-3-oxopropyl)pyrrolidine-3-carboxylate is COC(=O)CC[C@@H]1NCC[C@@H]1C(=O)OC.
What is the InChIKey of methyl (2S,3S)-2-(3-methoxy-3-oxopropyl)pyrrolidine-3-carboxylate?
The InChIKey is UOQCZYNBWFGBIJ-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H17NO4/c1-14-9(12)4-3-8-7(5-6-11-8)10(13)15-2/h7-8,11H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of methyl (2S,3S)-2-(3-methoxy-3-oxopropyl)pyrrolidine-3-carboxylate?
methyl (2S,3S)-2-(3-methoxy-3-oxopropyl)pyrrolidine-3-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-2-(3-methoxy-3-oxopropyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 11769862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).