methyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate

C10H12FNO3 — CID 171201488

IUPACmethyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOC(=O)[C@@H](N)c1ccc(OC)c(F)c1
InChIInChI=1S/C10H12FNO3/c1-14-8-4-3-6(5-7(8)11)9(12)10(13)15-2/h3-5,9H,12H2,1-2H3/t9-/m0/s1
InChIKeyNAUNFLKLQIEQKR-VIFPVBQESA-N
MW213.21 g/mol
LogP1.01
Rot. Bonds3

About methyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate

methyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate (PubChem CID 171201488) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate
PubChem CID171201488
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Namemethyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate
SMILESCOC(=O)[C@@H](N)c1ccc(OC)c(F)c1
InChIInChI=1S/C10H12FNO3/c1-14-8-4-3-6(5-7(8)11)9(12)10(13)15-2/h3-5,9H,12H2,1-2H3/t9-/m0/s1
InChIKeyNAUNFLKLQIEQKR-VIFPVBQESA-N
XLogP1.01
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate
CID 7278759
methyl (2R)-2-amino-2-(4-methoxy-3-methylphenyl)acetate;hydrochloride
CID 171233347
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-2-one
CID 116940504
methyl 2-(3-fluoro-4-methoxyphenyl)pentanoate
CID 112508521
3-amino-3-(3-fluoro-4-methoxyphenyl)propanehydrazide
CID 116848734
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
2-(3-fluoro-4-methoxyphenyl)-2-hydroxyacetamide
CID 65101692
methyl (2R)-2-amino-2-(4-chloro-3-methoxyphenyl)acetate
CID 171230748
2-(3-fluoro-4-methoxyphenyl)-2-(methylamino)acetamide
CID 65096535
3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 65096717
3-amino-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 82394258

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate?
The IUPAC name of methyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate (CID 171201488) is methyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate.
What is the SMILES notation for methyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate?
The canonical SMILES for methyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate is COC(=O)[C@@H](N)c1ccc(OC)c(F)c1.
What is the InChIKey of methyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate?
The InChIKey is NAUNFLKLQIEQKR-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12FNO3/c1-14-8-4-3-6(5-7(8)11)9(12)10(13)15-2/h3-5,9H,12H2,1-2H3/t9-/m0/s1.
What are the key properties of methyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate?
methyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate has a molecular weight of 213.21 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-2-(3-fluoro-4-methoxyphenyl)acetate is sourced from PubChem (CID 171201488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).