3-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propanoic acid

C14H18FNO2 — CID 119136182

IUPAC3-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO2/c15-13-3-1-11(2-4-13)9-12-5-7-16(10-12)8-6-14(17)18/h1-4,12H,5-10H2,(H,17,18)
InChIKeyMKBZFUMLGWYFPJ-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.16
Rot. Bonds5

About 3-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propanoic acid

3-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propanoic acid (PubChem CID 119136182) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propanoic acid
PubChem CID119136182
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name3-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC(Cc2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO2/c15-13-3-1-11(2-4-13)9-12-5-7-16(10-12)8-6-14(17)18/h1-4,12H,5-10H2,(H,17,18)
InChIKeyMKBZFUMLGWYFPJ-UHFFFAOYSA-N
XLogP2.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-benzylpyrrolidin-1-yl)propanoic acid
CID 119138114
2-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 154807730
5-(4-benzylpiperidin-1-yl)-1-(4-fluorophenyl)pent-1-en-3-one
CID 69246489
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 111442592
3-[4-[bis(4-fluorophenyl)methoxy]piperidin-1-yl]propanoic acid;hydrochloride
CID 67831048
3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid
CID 62217888
(3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 141046159
3-[3-[2-(2,4-difluorophenyl)ethyl]piperidin-1-yl]propanoic acid
CID 56906622
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 110289503
3-[3-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]benzoic acid
CID 120691977
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410
3-(3-benzylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 120981580

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propanoic acid?
The IUPAC name of 3-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propanoic acid (CID 119136182) is 3-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propanoic acid is O=C(O)CCN1CCC(Cc2ccc(F)cc2)C1.
What is the InChIKey of 3-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propanoic acid?
The InChIKey is MKBZFUMLGWYFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-13-3-1-11(2-4-13)9-12-5-7-16(10-12)8-6-14(17)18/h1-4,12H,5-10H2,(H,17,18).
What are the key properties of 3-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propanoic acid?
3-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propanoic acid has a molecular weight of 251.30 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 119136182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).