methyl 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetate

C14H18FNO3 — CID 55005808

IUPACmethyl 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)Cc1ccccc1F
InChIInChI=1S/C14H18FNO3/c1-3-8-16(10-14(18)19-2)13(17)9-11-6-4-5-7-12(11)15/h4-7H,3,8-10H2,1-2H3
InChIKeyFPEBMKFDUGOUKT-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.78
Rot. Bonds6

About methyl 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetate

methyl 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetate (PubChem CID 55005808) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is methyl 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetate
PubChem CID55005808
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Namemethyl 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(=O)Cc1ccccc1F
InChIInChI=1S/C14H18FNO3/c1-3-8-16(10-14(18)19-2)13(17)9-11-6-4-5-7-12(11)15/h4-7H,3,8-10H2,1-2H3
InChIKeyFPEBMKFDUGOUKT-UHFFFAOYSA-N
XLogP1.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetic acid
CID 61011390
methyl 2-[3-(2-aminophenyl)propanoyl-propylamino]acetate
CID 107272868
methyl 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]acetate
CID 61036324
N-butyl-N-ethyl-2-(2-fluorophenyl)acetamide
CID 86976336
N-(2-aminoethyl)-N-butyl-2-(2-fluorophenyl)acetamide
CID 63756056
2-[(2-fluorophenyl)methylamino]-N,N-dipropylacetamide
CID 108997535
methyl 2-[(2-fluorobenzoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953294
2-chloro-N-[(2-fluorophenyl)methyl]-N-propylacetamide
CID 39347931
methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate
CID 93371927
2-(2-hydroxyphenyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide
CID 78916891
methyl 2-[ethyl-[2-(2-fluorophenoxy)acetyl]amino]acetate
CID 54979366
methyl 2-[3-(4-fluorophenyl)sulfanylpropanoyl-propylamino]acetate
CID 61225273

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetate?
The IUPAC name of methyl 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetate (CID 55005808) is methyl 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetate?
The canonical SMILES for methyl 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetate is CCCN(CC(=O)OC)C(=O)Cc1ccccc1F.
What is the InChIKey of methyl 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetate?
The InChIKey is FPEBMKFDUGOUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-3-8-16(10-14(18)19-2)13(17)9-11-6-4-5-7-12(11)15/h4-7H,3,8-10H2,1-2H3.
What are the key properties of methyl 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetate?
methyl 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetate has a molecular weight of 267.30 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-fluorophenyl)acetyl]-propylamino]acetate is sourced from PubChem (CID 55005808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).