methyl 2-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]acetate

C14H17FN2O3 — CID 50746921

IUPACmethyl 2-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C14H17FN2O3/c1-20-13(18)9-16-14(19)17-7-3-6-12(17)10-4-2-5-11(15)8-10/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,16,19)
InChIKeyDUCWFSSIFVWDFL-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.85
Rot. Bonds3

About methyl 2-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]acetate

methyl 2-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]acetate (PubChem CID 50746921) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is methyl 2-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]acetate
PubChem CID50746921
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Namemethyl 2-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C14H17FN2O3/c1-20-13(18)9-16-14(19)17-7-3-6-12(17)10-4-2-5-11(15)8-10/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,16,19)
InChIKeyDUCWFSSIFVWDFL-UHFFFAOYSA-N
XLogP1.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-2-(3-Benzyl-ureido)-propionic acid methyl ester
CID 5623626
(S)-2-[3-(4-Fluoro-benzyl)-ureido]-3-methyl-butyric acid
CID 938687
Ethyl 2-[3-(2-fluorobenzyl)-2,4,5-trioxo-1-imidazolidinyl]acetate
CID 2767595
N-cyclopentyl-2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 4204383
N-cyclopentyl-2-[3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 4205522
[3-(4-Fluorobenzyl)-2-oxoimidazolidin-1-yl]acetic acid
CID 5076480
Ethyl 2-(benzylcarbamoylamino)acetate
CID 311007
methyl N-[(1-benzylpiperidin-4-yl)carbamoyl]-L-valinate
CID 664811
(S)-methyl 2-(3-(2-fluorobenzyl)ureido)propanoate
CID 5389876
(S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-propionic acid methyl ester
CID 5423793
(S)-2-[3-(2-Fluoro-benzyl)-ureido]-4-methylsulfanyl-butyric acid methyl ester
CID 7528800
N-(2,2-dimethoxyethyl)-2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 24761159

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]acetate (CID 50746921) is methyl 2-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]acetate is COC(=O)CNC(=O)N1CCCC1c1cccc(F)c1.
What is the InChIKey of methyl 2-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]acetate?
The InChIKey is DUCWFSSIFVWDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-20-13(18)9-16-14(19)17-7-3-6-12(17)10-4-2-5-11(15)8-10/h2,4-5,8,12H,3,6-7,9H2,1H3,(H,16,19).
What are the key properties of methyl 2-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]acetate?
methyl 2-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]acetate has a molecular weight of 280.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]acetate is sourced from PubChem (CID 50746921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).