4-(3-methoxypyrrolidin-1-yl)butanoic acid

C9H17NO3 — CID 103535134

IUPAC4-(3-methoxypyrrolidin-1-yl)butanoic acid
SMILESCOC1CCN(CCCC(=O)O)C1
InChIInChI=1S/C9H17NO3/c1-13-8-4-6-10(7-8)5-2-3-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyDWVQGVCZBRCYGH-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.57
Rot. Bonds5

About 4-(3-methoxypyrrolidin-1-yl)butanoic acid

4-(3-methoxypyrrolidin-1-yl)butanoic acid (PubChem CID 103535134) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-(3-methoxypyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-methoxypyrrolidin-1-yl)butanoic acid
PubChem CID103535134
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name4-(3-methoxypyrrolidin-1-yl)butanoic acid
SMILESCOC1CCN(CCCC(=O)O)C1
InChIInChI=1S/C9H17NO3/c1-13-8-4-6-10(7-8)5-2-3-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyDWVQGVCZBRCYGH-UHFFFAOYSA-N
XLogP0.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(3-methoxypyrrolidin-1-yl)butanoate
CID 103535204
5-(3-methoxypyrrolidin-1-yl)pentanehydrazide
CID 103540509
4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 69155262
6-(3-methoxypyrrolidin-1-yl)hexane-1-thiol
CID 103541634
4-(3,4-dimethylpiperidin-1-yl)butanoic acid
CID 115873359
2-amino-4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103537951
4-(3-aminopyrrolidin-1-yl)butanoic acid
CID 62069212
6-(3-methoxypyrrolidin-1-yl)hexan-2-amine
CID 103532346
4-(3-methoxypiperidin-1-yl)butanehydrazide
CID 102968724
N-[6-(3-methoxypyrrolidin-1-yl)hexyl]cyclopropanamine
CID 103539769
2-(cyclopropylamino)-6-(3-methoxypyrrolidin-1-yl)-2-methylhexanoic acid
CID 103537944
16-hydroxy-16-[(3S)-3-methoxypyrrolidin-1-yl]hexadecanoic acid
CID 166729268

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrrolidin-1-yl)butanoic acid?
The IUPAC name of 4-(3-methoxypyrrolidin-1-yl)butanoic acid (CID 103535134) is 4-(3-methoxypyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(3-methoxypyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 4-(3-methoxypyrrolidin-1-yl)butanoic acid is COC1CCN(CCCC(=O)O)C1.
What is the InChIKey of 4-(3-methoxypyrrolidin-1-yl)butanoic acid?
The InChIKey is DWVQGVCZBRCYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-13-8-4-6-10(7-8)5-2-3-9(11)12/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 4-(3-methoxypyrrolidin-1-yl)butanoic acid?
4-(3-methoxypyrrolidin-1-yl)butanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 103535134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).