methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylpropanoate

C14H18FNO2 — CID 117245099

IUPACmethyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylpropanoate
SMILESCOC(=O)C(CN1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-18-14(17)13(10-16-8-2-3-9-16)11-4-6-12(15)7-5-11/h4-7,13H,2-3,8-10H2,1H3
InChIKeyKXGWJCDUKDUIJQ-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.18
Rot. Bonds4

About methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylpropanoate

methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylpropanoate (PubChem CID 117245099) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylpropanoate
PubChem CID117245099
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Namemethyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylpropanoate
SMILESCOC(=O)C(CN1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-18-14(17)13(10-16-8-2-3-9-16)11-4-6-12(15)7-5-11/h4-7,13H,2-3,8-10H2,1H3
InChIKeyKXGWJCDUKDUIJQ-UHFFFAOYSA-N
XLogP2.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4-fluorophenyl)-3-sulfanylpropanoate
CID 117245362
methyl 2-(4-fluorophenyl)-3-methoxypropanoate
CID 117245338
dimethyl (2R)-2-(4-fluorophenyl)butanedioate
CID 94675067
methyl 3-(azepan-1-yl)-2-(3-chlorophenyl)propanoate
CID 117243277
methyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate
CID 117241306
methyl 2-(2-bromophenyl)-3-pyrrolidin-1-ylpropanoate
CID 117244222
4-(4-fluorophenyl)-5-methoxy-5-oxopentanoic acid
CID 141006930
methyl 3-(cyclopropylamino)-2-(4-fluorophenyl)propanoate
CID 117245047
3-(azepan-1-yl)-2-(4-methoxyphenyl)propanoic acid
CID 117245121
methyl 2-(3-fluorophenyl)-3-morpholin-4-ylpropanoate
CID 117243295
methyl 2-(4-fluorophenyl)-5-oxopentanoate
CID 87327496
2-(3-fluoro-4-methoxyphenyl)-3-pyrrolidin-1-ylpropanoic acid
CID 82092193

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylpropanoate?
The IUPAC name of methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylpropanoate (CID 117245099) is methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylpropanoate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylpropanoate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylpropanoate is COC(=O)C(CN1CCCC1)c1ccc(F)cc1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylpropanoate?
The InChIKey is KXGWJCDUKDUIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-18-14(17)13(10-16-8-2-3-9-16)11-4-6-12(15)7-5-11/h4-7,13H,2-3,8-10H2,1H3.
What are the key properties of methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylpropanoate?
methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylpropanoate has a molecular weight of 251.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylpropanoate is sourced from PubChem (CID 117245099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).