methyl 3-pyrrolidin-1-ylpentanoate

C10H19NO2 — CID 21282412

IUPACmethyl 3-pyrrolidin-1-ylpentanoate
SMILESCCC(CC(=O)OC)N1CCCC1
InChIInChI=1S/C10H19NO2/c1-3-9(8-10(12)13-2)11-6-4-5-7-11/h9H,3-8H2,1-2H3
InChIKeyBKGOALXXWBOZFN-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.42
Rot. Bonds4

About methyl 3-pyrrolidin-1-ylpentanoate

methyl 3-pyrrolidin-1-ylpentanoate (PubChem CID 21282412) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 3-pyrrolidin-1-ylpentanoate.

Molecular Properties

Compound Namemethyl 3-pyrrolidin-1-ylpentanoate
PubChem CID21282412
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 3-pyrrolidin-1-ylpentanoate
SMILESCCC(CC(=O)OC)N1CCCC1
InChIInChI=1S/C10H19NO2/c1-3-9(8-10(12)13-2)11-6-4-5-7-11/h9H,3-8H2,1-2H3
InChIKeyBKGOALXXWBOZFN-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 1-methylpyrrolidine-2-acetate
CID 103551
methyl 2-[(2S)-1-methylpyrrolidin-2-yl]acetate
CID 92286142
Ethyl 3-(1-pyrrolidinyl)butanoate
CID 24975275
methyl 3-[(2S)-2-(2-methoxy-2-oxoethyl)pyrrolidin-1-yl]propanoate
CID 10657024
Butyl 1-methyl-2-pyrrolidineacetate
CID 285094
Methyl 3-pyrrolidin-1-ylbutanoate
CID 10844903
Methyl 2-fluoro-2-(1-methylpyrrolidin-2-yl)acetate
CID 105436071
Dimethyl 3-pyrrolidin-1-ylpentanedioate
CID 270528
Ethyl 3-pyrrolidin-1-ylpentanoate
CID 12199775
Ethyl 2-(1-methylpyrrolidin-2-yl)acetate
CID 14163176
Methyl 3-piperidinovalerate
CID 14178339
(R)-(1-Methyl-pyrrolidin-2-yl)-acetic acid methyl ester
CID 15113777

Frequently Asked Questions

What is the IUPAC name of methyl 3-pyrrolidin-1-ylpentanoate?
The IUPAC name of methyl 3-pyrrolidin-1-ylpentanoate (CID 21282412) is methyl 3-pyrrolidin-1-ylpentanoate.
What is the SMILES notation for methyl 3-pyrrolidin-1-ylpentanoate?
The canonical SMILES for methyl 3-pyrrolidin-1-ylpentanoate is CCC(CC(=O)OC)N1CCCC1.
What is the InChIKey of methyl 3-pyrrolidin-1-ylpentanoate?
The InChIKey is BKGOALXXWBOZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-9(8-10(12)13-2)11-6-4-5-7-11/h9H,3-8H2,1-2H3.
What are the key properties of methyl 3-pyrrolidin-1-ylpentanoate?
methyl 3-pyrrolidin-1-ylpentanoate has a molecular weight of 185.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-pyrrolidin-1-ylpentanoate is sourced from PubChem (CID 21282412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).