(3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate

C10H12FNO3 — CID 94256668

IUPAC(3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate
SMILESCOc1ccc(COC(=O)CN)cc1F
InChIInChI=1S/C10H12FNO3/c1-14-9-3-2-7(4-8(9)11)6-15-10(13)5-12/h2-4H,5-6,12H2,1H3
InChIKeyVHBJQMAVOHJPAR-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.84
Rot. Bonds4

About (3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate

(3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate (PubChem CID 94256668) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate
PubChem CID94256668
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate
SMILESCOc1ccc(COC(=O)CN)cc1F
InChIInChI=1S/C10H12FNO3/c1-14-9-3-2-7(4-8(9)11)6-15-10(13)5-12/h2-4H,5-6,12H2,1H3
InChIKeyVHBJQMAVOHJPAR-UHFFFAOYSA-N
XLogP0.84
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxy-3-methoxyphenyl)methyl 2-aminoacetate
CID 175589732
(3-fluoro-4-methoxyphenyl)methyl 2,6-dimethoxybenzoate
CID 2629779
(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate
CID 2629800
(3-fluoro-4-methoxyphenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 7752969
(3-fluoro-4-methoxyphenyl)methyl 2-(4-cyanophenoxy)acetate
CID 7843015
(3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate
CID 2627760
(3-fluoro-4-methoxyphenyl)methyl 2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 7906738
(3-fluoro-4-methoxyphenyl)methyl 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954170
(3-fluoro-4-methoxyphenyl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907826
(3-fluoro-4-methoxyphenyl)methyl 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoate
CID 55394257
4-[(3-fluoro-4-methoxyphenyl)methoxy]benzamide
CID 7893423
2-amino-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 60712583

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate (CID 94256668) is (3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate is COc1ccc(COC(=O)CN)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate?
The InChIKey is VHBJQMAVOHJPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-14-9-3-2-7(4-8(9)11)6-15-10(13)5-12/h2-4H,5-6,12H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate?
(3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate has a molecular weight of 213.21 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)methyl 2-aminoacetate is sourced from PubChem (CID 94256668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).