methyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate

C10H17NO5 — CID 112632826

IUPACmethyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)CCN1CC(O)CC1C(=O)OC
InChIInChI=1S/C10H17NO5/c1-15-9(13)3-4-11-6-7(12)5-8(11)10(14)16-2/h7-8,12H,3-6H2,1-2H3
InChIKeyPYZKUZCWFBCLJJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.84
Rot. Bonds4

About methyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate (PubChem CID 112632826) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is methyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate
PubChem CID112632826
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Namemethyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)CCN1CC(O)CC1C(=O)OC
InChIInChI=1S/C10H17NO5/c1-15-9(13)3-4-11-6-7(12)5-8(11)10(14)16-2/h7-8,12H,3-6H2,1-2H3
InChIKeyPYZKUZCWFBCLJJ-UHFFFAOYSA-N
XLogP-0.84
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-hydroxy-1-(4-hydroxybutyl)pyrrolidine-2-carboxylate
CID 112632967
methyl 1-(2-cyclopropylethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632988
methyl 4-hydroxy-1-(3-methoxypropyl)pyrrolidine-2-carboxylate
CID 72691020
methyl 1-decyl-4-hydroxypyrrolidine-2-carboxylate
CID 115971596
ethyl 1-(3-ethoxy-3-oxopropyl)-4-hydroxypyrrolidine-2-carboxylate
CID 118992889
methyl 4-hydroxy-1-(3-hydroxy-3-methylbutyl)pyrrolidine-2-carboxylate
CID 112632679
methyl 4-hydroxy-1-(3-methylbut-2-enyl)pyrrolidine-2-carboxylate
CID 112632759
methyl 4-hydroxy-1-(2-hydroxypropyl)pyrrolidine-2-carboxylate
CID 112632729
methyl (2S,4S)-1-(2-chloroprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylate
CID 71850543
methyl 4-hydroxy-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 72693049
methyl (4R)-4-hydroxy-1-[2-(2-methylpropylsulfanyl)ethyl]pyrrolidine-2-carboxylate
CID 102561828
methyl 4-hydroxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-2-carboxylate
CID 72979082

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate (CID 112632826) is methyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate is COC(=O)CCN1CC(O)CC1C(=O)OC.
What is the InChIKey of methyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate?
The InChIKey is PYZKUZCWFBCLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-15-9(13)3-4-11-6-7(12)5-8(11)10(14)16-2/h7-8,12H,3-6H2,1-2H3.
What are the key properties of methyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate has a molecular weight of 231.25 g/mol, XLogP of -0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 112632826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).