methyl 4-(3-methoxypyrrolidin-1-yl)butanoate

C10H19NO3 — CID 103535204

IUPACmethyl 4-(3-methoxypyrrolidin-1-yl)butanoate
SMILESCOC(=O)CCCN1CCC(OC)C1
InChIInChI=1S/C10H19NO3/c1-13-9-5-7-11(8-9)6-3-4-10(12)14-2/h9H,3-8H2,1-2H3
InChIKeyNICBLBNAUUUKHW-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.66
Rot. Bonds5

About methyl 4-(3-methoxypyrrolidin-1-yl)butanoate

methyl 4-(3-methoxypyrrolidin-1-yl)butanoate (PubChem CID 103535204) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 4-(3-methoxypyrrolidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(3-methoxypyrrolidin-1-yl)butanoate
PubChem CID103535204
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 4-(3-methoxypyrrolidin-1-yl)butanoate
SMILESCOC(=O)CCCN1CCC(OC)C1
InChIInChI=1S/C10H19NO3/c1-13-9-5-7-11(8-9)6-3-4-10(12)14-2/h9H,3-8H2,1-2H3
InChIKeyNICBLBNAUUUKHW-UHFFFAOYSA-N
XLogP0.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103535134
5-(3-methoxypyrrolidin-1-yl)pentanehydrazide
CID 103540509
methyl 2-(3-methoxypyrrolidin-1-yl)acetate
CID 103535132
methyl 4-(4-aminopiperidin-1-yl)butanoate
CID 43556647
4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 69155262
6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol
CID 103541634
methyl 4-[3-[4-(4-chlorophenoxy)phenoxy]pyrrolidin-1-yl]butanoate
CID 69004125
4-(3-methoxypiperidin-1-yl)butanehydrazide
CID 102968724
N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine
CID 103539769
methyl 4-(3-piperazin-1-ylpyrrolidin-1-yl)butanoate
CID 112739454
6-(3-methoxypyrrolidin-1-yl)hexan-2-amine
CID 103532346
methyl 4-(4-cyclopropylpiperazin-1-yl)butanoate
CID 61441517

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methoxypyrrolidin-1-yl)butanoate?
The IUPAC name of methyl 4-(3-methoxypyrrolidin-1-yl)butanoate (CID 103535204) is methyl 4-(3-methoxypyrrolidin-1-yl)butanoate.
What is the SMILES notation for methyl 4-(3-methoxypyrrolidin-1-yl)butanoate?
The canonical SMILES for methyl 4-(3-methoxypyrrolidin-1-yl)butanoate is COC(=O)CCCN1CCC(OC)C1.
What is the InChIKey of methyl 4-(3-methoxypyrrolidin-1-yl)butanoate?
The InChIKey is NICBLBNAUUUKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-13-9-5-7-11(8-9)6-3-4-10(12)14-2/h9H,3-8H2,1-2H3.
What are the key properties of methyl 4-(3-methoxypyrrolidin-1-yl)butanoate?
methyl 4-(3-methoxypyrrolidin-1-yl)butanoate has a molecular weight of 201.27 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methoxypyrrolidin-1-yl)butanoate is sourced from PubChem (CID 103535204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).