methyl 4-pyrrolidin-1-ylpentanoate

C10H19NO2 — CID 67189768

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

About methyl 4-pyrrolidin-1-ylpentanoate

methyl 4-pyrrolidin-1-ylpentanoate (PubChem CID 67189768) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 4-pyrrolidin-1-ylpentanoate.

Molecular Properties

Compound Namemethyl 4-pyrrolidin-1-ylpentanoate
PubChem CID67189768
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 4-pyrrolidin-1-ylpentanoate
SMILESCOC(=O)CCC(C)N1CCCC1
InChIInChI=1S/C10H19NO2/c1-9(5-6-10(12)13-2)11-7-3-4-8-11/h9H,3-8H2,1-2H3
InChIKeyMCQPVWDDDYLICB-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

4-(Trimethylammonio)pentanoate
CID 90655245
Methyl 1-pyrrolidinebutanoate
CID 30905
1-Pyrrolidine butyric acid, ethyl ester
CID 210998
Methyl 4-(diethylamino)-2-methylpentanoate
CID 10013062
Methyl 3-pyrrolidin-1-ylbutanoate
CID 10844903
2-Pyrrolidinepropanoic acid, 1-methyl-, methyl ester
CID 11019316
Methyl 4-[ethyl(methoxycarbonyl)amino]pentanoate
CID 11378953
Ethyl 4-pyrrolidin-1-ylhexanoate
CID 12199777
Ethyl 4-(1-methylpyrrolidin-1-ium-1-yl)butanoate
CID 211001
Ethyl 3-pyrrolidin-1-ylpentanoate
CID 12199775
4-Pyrrolidin-1-yl-pentanoic acid
CID 18524006
Methyl 3-pyrrolidinovalerate
CID 21282412

Frequently Asked Questions

What is the IUPAC name of methyl 4-pyrrolidin-1-ylpentanoate?
The IUPAC name of methyl 4-pyrrolidin-1-ylpentanoate (CID 67189768) is methyl 4-pyrrolidin-1-ylpentanoate.
What is the SMILES notation for methyl 4-pyrrolidin-1-ylpentanoate?
The canonical SMILES for methyl 4-pyrrolidin-1-ylpentanoate is COC(=O)CCC(C)N1CCCC1.
What is the InChIKey of methyl 4-pyrrolidin-1-ylpentanoate?
The InChIKey is MCQPVWDDDYLICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(5-6-10(12)13-2)11-7-3-4-8-11/h9H,3-8H2,1-2H3.
What are the key properties of methyl 4-pyrrolidin-1-ylpentanoate?
methyl 4-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 4-pyrrolidin-1-ylpentanoate is sourced from PubChem (CID 67189768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).