methyl 4-hydroxy-1-(4-methoxybutanoyl)pyrrolidine-2-carboxylate

C11H19NO5 — CID 112632356

IUPACmethyl 4-hydroxy-1-(4-methoxybutanoyl)pyrrolidine-2-carboxylate
SMILESCOCCCC(=O)N1CC(O)CC1C(=O)OC
InChIInChI=1S/C11H19NO5/c1-16-5-3-4-10(14)12-7-8(13)6-9(12)11(15)17-2/h8-9,13H,3-7H2,1-2H3
InChIKeyZGGCOIUNXKFOMX-UHFFFAOYSA-N
MW245.27 g/mol
LogP-0.45
Rot. Bonds5

About methyl 4-hydroxy-1-(4-methoxybutanoyl)pyrrolidine-2-carboxylate

methyl 4-hydroxy-1-(4-methoxybutanoyl)pyrrolidine-2-carboxylate (PubChem CID 112632356) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is methyl 4-hydroxy-1-(4-methoxybutanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-(4-methoxybutanoyl)pyrrolidine-2-carboxylate
PubChem CID112632356
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Namemethyl 4-hydroxy-1-(4-methoxybutanoyl)pyrrolidine-2-carboxylate
SMILESCOCCCC(=O)N1CC(O)CC1C(=O)OC
InChIInChI=1S/C11H19NO5/c1-16-5-3-4-10(14)12-7-8(13)6-9(12)11(15)17-2/h8-9,13H,3-7H2,1-2H3
InChIKeyZGGCOIUNXKFOMX-UHFFFAOYSA-N
XLogP-0.45
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-heptanoyl-4-hydroxypyrrolidine-2-carboxylate
CID 112632311
methyl 4-hydroxy-1-(3-methoxypropyl)pyrrolidine-2-carboxylate
CID 72691020
methyl (2S,4S)-4-hydroxy-1-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoyl]pyrrolidine-2-carboxylate
CID 130286037
methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
CID 115970990
methyl 1-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl]-4-hydroxypyrrolidine-2-carboxylate
CID 115971202
methyl 4-hydroxy-1-(4-thiophen-2-ylbutanoyl)pyrrolidine-2-carboxylate
CID 115971332
methyl 4-hydroxy-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylate
CID 112632347
methyl 4-hydroxy-1-[3-(4-methylphenyl)propanoyl]pyrrolidine-2-carboxylate
CID 115970997
methyl 4-hydroxy-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 112632548
methyl 4-hydroxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrrolidine-2-carboxylate
CID 112632888
(2S,4S)-4-hydroxy-1-[4-(methylamino)butanoyl]pyrrolidine-2-carboxylic acid
CID 64712518
methyl 4-hydroxy-1-[2-(triazol-1-yl)acetyl]pyrrolidine-2-carboxylate
CID 112632463

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-(4-methoxybutanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-(4-methoxybutanoyl)pyrrolidine-2-carboxylate (CID 112632356) is methyl 4-hydroxy-1-(4-methoxybutanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-(4-methoxybutanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-(4-methoxybutanoyl)pyrrolidine-2-carboxylate is COCCCC(=O)N1CC(O)CC1C(=O)OC.
What is the InChIKey of methyl 4-hydroxy-1-(4-methoxybutanoyl)pyrrolidine-2-carboxylate?
The InChIKey is ZGGCOIUNXKFOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-16-5-3-4-10(14)12-7-8(13)6-9(12)11(15)17-2/h8-9,13H,3-7H2,1-2H3.
What are the key properties of methyl 4-hydroxy-1-(4-methoxybutanoyl)pyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-(4-methoxybutanoyl)pyrrolidine-2-carboxylate has a molecular weight of 245.27 g/mol, XLogP of -0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-(4-methoxybutanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 112632356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).