methyl 4-hydroxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxylate

C12H22N2O5 — CID 112632888

IUPACmethyl 4-hydroxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCOCCCNC(=O)CN1CC(O)CC1C(=O)OC
InChIInChI=1S/C12H22N2O5/c1-18-5-3-4-13-11(16)8-14-7-9(15)6-10(14)12(17)19-2/h9-10,15H,3-8H2,1-2H3,(H,13,16)
InChIKeyJZFMPVIPDDELNC-UHFFFAOYSA-N
MW274.32 g/mol
LogP-1.25
Rot. Bonds7

About methyl 4-hydroxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxylate (PubChem CID 112632888) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 4-hydroxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
PubChem CID112632888
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Namemethyl 4-hydroxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
SMILESCOCCCNC(=O)CN1CC(O)CC1C(=O)OC
InChIInChI=1S/C12H22N2O5/c1-18-5-3-4-13-11(16)8-14-7-9(15)6-10(14)12(17)19-2/h9-10,15H,3-8H2,1-2H3,(H,13,16)
InChIKeyJZFMPVIPDDELNC-UHFFFAOYSA-N
XLogP-1.25
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-hydroxy-1-(3-methoxypropyl)pyrrolidine-2-carboxylate
CID 72691020
methyl 4-hydroxy-1-[2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 72693049
methyl 4-hydroxy-1-[2-oxo-2-(prop-2-enylamino)ethyl]pyrrolidine-2-carboxylate
CID 112632836
methyl (2S,4S)-1-(2-chloroprop-2-enyl)-4-hydroxypyrrolidine-2-carboxylate
CID 71850543
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 79410145
methyl 4-hydroxy-1-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 115971586
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(3-methoxypropyl)acetamide
CID 55236053
methyl 4-hydroxy-1-(4-methoxybutanoyl)pyrrolidine-2-carboxylate
CID 112632356
(2S)-4-hydroxy-1-(3-methoxypropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61196712
methyl (2S,4R)-1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylate
CID 56804659
methyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730658
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 102787948

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxylate (CID 112632888) is methyl 4-hydroxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxylate is COCCCNC(=O)CN1CC(O)CC1C(=O)OC.
What is the InChIKey of methyl 4-hydroxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
The InChIKey is JZFMPVIPDDELNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-18-5-3-4-13-11(16)8-14-7-9(15)6-10(14)12(17)19-2/h9-10,15H,3-8H2,1-2H3,(H,13,16).
What are the key properties of methyl 4-hydroxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxylate has a molecular weight of 274.32 g/mol, XLogP of -1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 112632888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).