2-(pyrrolidin-2-ylmethoxy)pentanoic acid

C10H19NO3 — CID 106939418

IUPAC2-(pyrrolidin-2-ylmethoxy)pentanoic acid
SMILESCCCC(OCC1CCCN1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-2-4-9(10(12)13)14-7-8-5-3-6-11-8/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeySJNZNZPSBDKQIQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.01
Rot. Bonds6

About 2-(pyrrolidin-2-ylmethoxy)pentanoic acid

2-(pyrrolidin-2-ylmethoxy)pentanoic acid (PubChem CID 106939418) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(pyrrolidin-2-ylmethoxy)pentanoic acid.

Molecular Properties

Compound Name2-(pyrrolidin-2-ylmethoxy)pentanoic acid
PubChem CID106939418
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-(pyrrolidin-2-ylmethoxy)pentanoic acid
SMILESCCCC(OCC1CCCN1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-2-4-9(10(12)13)14-7-8-5-3-6-11-8/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeySJNZNZPSBDKQIQ-UHFFFAOYSA-N
XLogP1.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(pyrrolidin-2-ylmethoxy)butanoate
CID 106939450
(2S)-2-(1-iodobutoxymethyl)pyrrolidine
CID 121274934
ethyl 2-(2-piperidin-2-ylethoxy)pentanoate
CID 106939616
2-(pentan-2-yloxymethyl)piperidine
CID 102981941
(2S)-2-(propan-2-yloxymethyl)pyrrolidine
CID 28802468
N-pentan-3-yl-2-(piperidin-2-ylmethoxy)propanamide
CID 62339226
1-pyrrolidin-2-ylpentan-2-ol
CID 90756268
(2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]pentanoic acid
CID 103869971
pyrrolidin-2-ylmethyl 2-methylpropanoate
CID 20612613
(2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine
CID 102819966
2-(morpholin-2-ylmethoxy)pentanoic acid
CID 106940857
2-[2-[(2R)-pyrrolidin-2-yl]ethyl]hexanoic acid
CID 142749292

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-2-ylmethoxy)pentanoic acid?
The IUPAC name of 2-(pyrrolidin-2-ylmethoxy)pentanoic acid (CID 106939418) is 2-(pyrrolidin-2-ylmethoxy)pentanoic acid.
What is the SMILES notation for 2-(pyrrolidin-2-ylmethoxy)pentanoic acid?
The canonical SMILES for 2-(pyrrolidin-2-ylmethoxy)pentanoic acid is CCCC(OCC1CCCN1)C(=O)O.
What is the InChIKey of 2-(pyrrolidin-2-ylmethoxy)pentanoic acid?
The InChIKey is SJNZNZPSBDKQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-4-9(10(12)13)14-7-8-5-3-6-11-8/h8-9,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-(pyrrolidin-2-ylmethoxy)pentanoic acid?
2-(pyrrolidin-2-ylmethoxy)pentanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-2-ylmethoxy)pentanoic acid is sourced from PubChem (CID 106939418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).