methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propanoate

C15H21FN2O2 — CID 83986142

IUPACmethyl 2-amino-3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propanoate
SMILESCOC(=O)C(N)CC1CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H21FN2O2/c1-20-15(19)14(17)8-12-6-7-18(10-12)9-11-2-4-13(16)5-3-11/h2-5,12,14H,6-10,17H2,1H3
InChIKeyFVBMKKZHBGOUNQ-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.54
Rot. Bonds5

About methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propanoate

methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propanoate (PubChem CID 83986142) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propanoate
PubChem CID83986142
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Namemethyl 2-amino-3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propanoate
SMILESCOC(=O)C(N)CC1CCN(Cc2ccc(F)cc2)C1
InChIInChI=1S/C15H21FN2O2/c1-20-15(19)14(17)8-12-6-7-18(10-12)9-11-2-4-13(16)5-3-11/h2-5,12,14H,6-10,17H2,1H3
InChIKeyFVBMKKZHBGOUNQ-UHFFFAOYSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanoate
CID 83983286
1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propan-2-amine
CID 83986159
methyl 2-amino-2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 83983287
1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-N-methylpropan-2-amine
CID 83986174
methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 17221672
methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate
CID 83981066
1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]ethanone
CID 83986150
1-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropan-2-amine
CID 83982807
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-2-amine
CID 62593449
methyl 2-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980816
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-2-methylpropan-1-ol
CID 83983299

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propanoate?
The IUPAC name of methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propanoate (CID 83986142) is methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propanoate.
What is the SMILES notation for methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propanoate?
The canonical SMILES for methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propanoate is COC(=O)C(N)CC1CCN(Cc2ccc(F)cc2)C1.
What is the InChIKey of methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propanoate?
The InChIKey is FVBMKKZHBGOUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-20-15(19)14(17)8-12-6-7-18(10-12)9-11-2-4-13(16)5-3-11/h2-5,12,14H,6-10,17H2,1H3.
What are the key properties of methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propanoate?
methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propanoate has a molecular weight of 280.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propanoate is sourced from PubChem (CID 83986142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).