methyl 2-amino-3-(2-chlorophenoxy)propanoate

C10H12ClNO3 — CID 86263203

IUPACmethyl 2-amino-3-(2-chlorophenoxy)propanoate
SMILESCOC(=O)C(N)COc1ccccc1Cl
InChIInChI=1S/C10H12ClNO3/c1-14-10(13)8(12)6-15-9-5-3-2-4-7(9)11/h2-5,8H,6,12H2,1H3
InChIKeyWRXWJFUAHXXTOF-UHFFFAOYSA-N
MW229.66 g/mol
LogP1.22
Rot. Bonds4

About methyl 2-amino-3-(2-chlorophenoxy)propanoate

methyl 2-amino-3-(2-chlorophenoxy)propanoate (PubChem CID 86263203) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is methyl 2-amino-3-(2-chlorophenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(2-chlorophenoxy)propanoate
PubChem CID86263203
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Namemethyl 2-amino-3-(2-chlorophenoxy)propanoate
SMILESCOC(=O)C(N)COc1ccccc1Cl
InChIInChI=1S/C10H12ClNO3/c1-14-10(13)8(12)6-15-9-5-3-2-4-7(9)11/h2-5,8H,6,12H2,1H3
InChIKeyWRXWJFUAHXXTOF-UHFFFAOYSA-N
XLogP1.22
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-(2,5-dichlorophenoxy)propanoate
CID 116820903
(2S)-1-(2-chlorophenoxy)propan-2-amine
CID 42221597
methyl 2-amino-3-(2-fluoro-3-methylphenoxy)propanoate
CID 107660467
1-(2-chlorophenoxy)-4-methoxybutan-2-amine
CID 117236727
methyl 2-(2-chlorophenoxy)-3-(2,3-dichlorophenoxy)propanoate
CID 70532958
methyl 3-(2-chlorophenoxy)-2-(3-methylphenyl)propanoate
CID 117243342
methyl (2S)-2-amino-3-(4-chlorophenoxy)propanoate
CID 99737689
(2S)-3-(2-chlorophenoxy)-2-(methylamino)propanoic acid
CID 142490833
(2R)-1-(2-chlorophenoxy)-3-methylbutan-2-amine
CID 39109828
2-amino-3-(2-chlorophenoxy)propane-1,1-diol
CID 156554315
methyl 2-amino-3-(3-chlorophenoxy)propanoate
CID 86263202
methyl 2-amino-3-(2-chlorophenoxy)butanoate
CID 86263211

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(2-chlorophenoxy)propanoate?
The IUPAC name of methyl 2-amino-3-(2-chlorophenoxy)propanoate (CID 86263203) is methyl 2-amino-3-(2-chlorophenoxy)propanoate.
What is the SMILES notation for methyl 2-amino-3-(2-chlorophenoxy)propanoate?
The canonical SMILES for methyl 2-amino-3-(2-chlorophenoxy)propanoate is COC(=O)C(N)COc1ccccc1Cl.
What is the InChIKey of methyl 2-amino-3-(2-chlorophenoxy)propanoate?
The InChIKey is WRXWJFUAHXXTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-14-10(13)8(12)6-15-9-5-3-2-4-7(9)11/h2-5,8H,6,12H2,1H3.
What are the key properties of methyl 2-amino-3-(2-chlorophenoxy)propanoate?
methyl 2-amino-3-(2-chlorophenoxy)propanoate has a molecular weight of 229.66 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(2-chlorophenoxy)propanoate is sourced from PubChem (CID 86263203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).