3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-(methylamino)propanoic acid

C14H19FN2O2 — CID 83981540

IUPAC3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-(methylamino)propanoic acid
SMILESCNC(CC1CCN(c2cccc(F)c2)C1)C(=O)O
InChIInChI=1S/C14H19FN2O2/c1-16-13(14(18)19)7-10-5-6-17(9-10)12-4-2-3-11(15)8-12/h2-4,8,10,13,16H,5-7,9H2,1H3,(H,18,19)
InChIKeyYWMCTVKBBJCNHF-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.71
Rot. Bonds5

About 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-(methylamino)propanoic acid

3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-(methylamino)propanoic acid (PubChem CID 83981540) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-(methylamino)propanoic acid
PubChem CID83981540
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-(methylamino)propanoic acid
SMILESCNC(CC1CCN(c2cccc(F)c2)C1)C(=O)O
InChIInChI=1S/C14H19FN2O2/c1-16-13(14(18)19)7-10-5-6-17(9-10)12-4-2-3-11(15)8-12/h2-4,8,10,13,16H,5-7,9H2,1H3,(H,18,19)
InChIKeyYWMCTVKBBJCNHF-UHFFFAOYSA-N
XLogP1.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3,4-difluorophenyl)pyrrolidin-3-yl]-2-(methylamino)propanoic acid
CID 83981643
methyl 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanoate
CID 83981517
3-[1-(3-fluorophenyl)pyrrolidin-3-yl]propanoic acid
CID 83981502
N-ethyl-1-[1-(3-fluorophenyl)pyrrolidin-3-yl]propan-2-amine
CID 83981537
3-[1-(3-bromophenyl)pyrrolidin-3-yl]-2-methylpropanoic acid
CID 83981669
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 110478479
3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565
N-methyl-1-(1-phenylpyrrolidin-3-yl)propan-2-amine
CID 83981144
N-[1-(3-fluorophenyl)piperidin-3-yl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119884155
1-(3-fluorophenyl)piperidine-4-carboxamide
CID 117008345
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-4-hydroxybutanamide
CID 110480296
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 110479175

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-(methylamino)propanoic acid?
The IUPAC name of 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-(methylamino)propanoic acid (CID 83981540) is 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-(methylamino)propanoic acid.
What is the SMILES notation for 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-(methylamino)propanoic acid?
The canonical SMILES for 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-(methylamino)propanoic acid is CNC(CC1CCN(c2cccc(F)c2)C1)C(=O)O.
What is the InChIKey of 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-(methylamino)propanoic acid?
The InChIKey is YWMCTVKBBJCNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-16-13(14(18)19)7-10-5-6-17(9-10)12-4-2-3-11(15)8-12/h2-4,8,10,13,16H,5-7,9H2,1H3,(H,18,19).
What are the key properties of 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-(methylamino)propanoic acid?
3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-(methylamino)propanoic acid has a molecular weight of 266.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-(methylamino)propanoic acid is sourced from PubChem (CID 83981540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).