3-(3-methoxypyrrolidin-1-yl)pentanoic acid

C10H19NO3 — CID 103540425

IUPAC3-(3-methoxypyrrolidin-1-yl)pentanoic acid
SMILESCCC(CC(=O)O)N1CCC(OC)C1
InChIInChI=1S/C10H19NO3/c1-3-8(6-10(12)13)11-5-4-9(7-11)14-2/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyLZCZNXXNOMKHJS-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.96
Rot. Bonds5

About 3-(3-methoxypyrrolidin-1-yl)pentanoic acid

3-(3-methoxypyrrolidin-1-yl)pentanoic acid (PubChem CID 103540425) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-(3-methoxypyrrolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name3-(3-methoxypyrrolidin-1-yl)pentanoic acid
PubChem CID103540425
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-(3-methoxypyrrolidin-1-yl)pentanoic acid
SMILESCCC(CC(=O)O)N1CCC(OC)C1
InChIInChI=1S/C10H19NO3/c1-3-8(6-10(12)13)11-5-4-9(7-11)14-2/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyLZCZNXXNOMKHJS-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxypyrrolidin-1-yl)propanoic acid
CID 103535131
(3S)-1-(1,3-dichloropropan-2-yl)-3-methoxypyrrolidine
CID 162371914
1-butan-2-yl-3-methoxypyrrolidine
CID 146427472
16-hydroxy-16-[(3S)-3-methoxypyrrolidin-1-yl]hexadecanoic acid
CID 166729268
3-(4-tert-butylpiperidin-1-yl)pentanoic acid
CID 63067950
2-(3-methoxypyrrolidin-1-yl)butanethioamide
CID 103533726
2-(4-methoxypiperidin-1-yl)butan-1-amine
CID 43372672
2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid
CID 103536055
(2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid
CID 103536216
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)pentanoic acid
CID 63151670
1-(1-methoxybutan-2-yl)pyrrolidine-3-carboxylic acid
CID 65066414
4-ethylsulfanyl-2-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 103531652

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypyrrolidin-1-yl)pentanoic acid?
The IUPAC name of 3-(3-methoxypyrrolidin-1-yl)pentanoic acid (CID 103540425) is 3-(3-methoxypyrrolidin-1-yl)pentanoic acid.
What is the SMILES notation for 3-(3-methoxypyrrolidin-1-yl)pentanoic acid?
The canonical SMILES for 3-(3-methoxypyrrolidin-1-yl)pentanoic acid is CCC(CC(=O)O)N1CCC(OC)C1.
What is the InChIKey of 3-(3-methoxypyrrolidin-1-yl)pentanoic acid?
The InChIKey is LZCZNXXNOMKHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-8(6-10(12)13)11-5-4-9(7-11)14-2/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-(3-methoxypyrrolidin-1-yl)pentanoic acid?
3-(3-methoxypyrrolidin-1-yl)pentanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypyrrolidin-1-yl)pentanoic acid is sourced from PubChem (CID 103540425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).