methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propylamino]acetate

C14H20FNO3 — CID 104794477

IUPACmethyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)Cc1cccc(OC)c1F
InChIInChI=1S/C14H20FNO3/c1-4-8-16(10-13(17)19-3)9-11-6-5-7-12(18-2)14(11)15/h5-7H,4,8-10H2,1-3H3
InChIKeyGXDGECLDSWGWBP-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.22
Rot. Bonds7

About methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propylamino]acetate

methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propylamino]acetate (PubChem CID 104794477) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propylamino]acetate
PubChem CID104794477
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Namemethyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propylamino]acetate
SMILESCCCN(CC(=O)OC)Cc1cccc(OC)c1F
InChIInChI=1S/C14H20FNO3/c1-4-8-16(10-13(17)19-3)9-11-6-5-7-12(18-2)14(11)15/h5-7H,4,8-10H2,1-3H3
InChIKeyGXDGECLDSWGWBP-UHFFFAOYSA-N
XLogP2.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propan-2-ylamino]acetate
CID 113453832
methyl 2-[(3-chloro-2-fluorophenyl)methyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 103885183
methyl 2-[(2,3-dichlorophenyl)methyl-propylamino]acetate
CID 103821518
methyl 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-propylamino]acetate
CID 61036324
methyl 2-[(2-nitrophenyl)methyl-propylamino]acetate
CID 61035687
2-[cyclopropylmethyl-[(2-fluoro-3-methoxyphenyl)methyl]amino]acetic acid
CID 104792711
methyl 2-[(2,3-difluorophenyl)methyl-[(3,5-dimethoxyphenyl)methyl]amino]acetate
CID 47548923
4-[(2-fluoro-3-methoxyphenyl)methyl-methylamino]butanoic acid
CID 113453649
methyl 2-[(2-chloro-3-fluorophenyl)methyl-ethylamino]acetate
CID 112550265
methyl 2-[2-[[(2-amino-2-sulfanylideneethyl)-propylamino]methyl]phenyl]acetate
CID 115462370
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylphenyl)ethanone
CID 113453726
dimethyl (E)-2-[(2-fluoro-3-methoxyphenyl)methyl]but-2-enedioate
CID 58078424

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propylamino]acetate?
The IUPAC name of methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propylamino]acetate (CID 104794477) is methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propylamino]acetate.
What is the SMILES notation for methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propylamino]acetate?
The canonical SMILES for methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propylamino]acetate is CCCN(CC(=O)OC)Cc1cccc(OC)c1F.
What is the InChIKey of methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propylamino]acetate?
The InChIKey is GXDGECLDSWGWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-4-8-16(10-13(17)19-3)9-11-6-5-7-12(18-2)14(11)15/h5-7H,4,8-10H2,1-3H3.
What are the key properties of methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propylamino]acetate?
methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propylamino]acetate has a molecular weight of 269.32 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propylamino]acetate is sourced from PubChem (CID 104794477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).