3-(1-methoxycarbonylpyrrolidin-2-yl)propanoic acid

C9H15NO4 — CID 83700179

IUPAC3-(1-methoxycarbonylpyrrolidin-2-yl)propanoic acid
SMILESCOC(=O)N1CCCC1CCC(=O)O
InChIInChI=1S/C9H15NO4/c1-14-9(13)10-6-2-3-7(10)4-5-8(11)12/h7H,2-6H2,1H3,(H,11,12)
InChIKeyAIYZCDVSMCQGEZ-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.08
Rot. Bonds3

About 3-(1-methoxycarbonylpyrrolidin-2-yl)propanoic acid

3-(1-methoxycarbonylpyrrolidin-2-yl)propanoic acid (PubChem CID 83700179) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-(1-methoxycarbonylpyrrolidin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-methoxycarbonylpyrrolidin-2-yl)propanoic acid
PubChem CID83700179
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-(1-methoxycarbonylpyrrolidin-2-yl)propanoic acid
SMILESCOC(=O)N1CCCC1CCC(=O)O
InChIInChI=1S/C9H15NO4/c1-14-9(13)10-6-2-3-7(10)4-5-8(11)12/h7H,2-6H2,1H3,(H,11,12)
InChIKeyAIYZCDVSMCQGEZ-UHFFFAOYSA-N
XLogP1.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[2-(3-Hydroxyoctyl)-5-oxopyrrolidin-1-YL]heptanoic acid
CID 44269516
7-[(S)-2-(3-Hydroxy-octyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid
CID 44269486
7-[(R)-2-(3-Hydroxy-octyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid
CID 44269464
3-((2S)-1-((tert-butoxy)carbonyl)pyrrolidin-2-yl)propanoic acid
CID 10824137
7-(2-Octyl-5-oxopyrrolidin-1-yl)heptanoic acid
CID 85908399
3-[(2R)-1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl]propanoic acid
CID 95732442
3-(1-Methylpyrrolidin-2-yl)propanoic acid hydrochloride
CID 122164179
tert-Butyl 2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 10801136
3-(1-Methylpyrrolidin-2-yl)propanoic acid
CID 22067847
3-[(2R,4R)-1-[(tert-butoxy)carbonyl]-4-fluoropyrrolidin-2-yl]propanoic acid
CID 117939347
(R)-3-(1-(tert-butoxycarbonyl)-4,4-difluoropyrrolidin-2-yl)propanoic acid
CID 117939352
(S)-3-(1-(tert-butoxycarbonyl)-4,4-difluoropyrrolidin-2-yl)propanoic-acid
CID 121483125

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxycarbonylpyrrolidin-2-yl)propanoic acid?
The IUPAC name of 3-(1-methoxycarbonylpyrrolidin-2-yl)propanoic acid (CID 83700179) is 3-(1-methoxycarbonylpyrrolidin-2-yl)propanoic acid.
What is the SMILES notation for 3-(1-methoxycarbonylpyrrolidin-2-yl)propanoic acid?
The canonical SMILES for 3-(1-methoxycarbonylpyrrolidin-2-yl)propanoic acid is COC(=O)N1CCCC1CCC(=O)O.
What is the InChIKey of 3-(1-methoxycarbonylpyrrolidin-2-yl)propanoic acid?
The InChIKey is AIYZCDVSMCQGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-14-9(13)10-6-2-3-7(10)4-5-8(11)12/h7H,2-6H2,1H3,(H,11,12).
What are the key properties of 3-(1-methoxycarbonylpyrrolidin-2-yl)propanoic acid?
3-(1-methoxycarbonylpyrrolidin-2-yl)propanoic acid has a molecular weight of 201.22 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxycarbonylpyrrolidin-2-yl)propanoic acid is sourced from PubChem (CID 83700179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).