methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate

C11H14ClNO3 — CID 116856914

IUPACmethyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate
SMILESCOC(=O)C(N)c1cc(Cl)c(OC)cc1C
InChIInChI=1S/C11H14ClNO3/c1-6-4-9(15-2)8(12)5-7(6)10(13)11(14)16-3/h4-5,10H,13H2,1-3H3
InChIKeyNUMLWTQBLZDVIF-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.83
Rot. Bonds3

About methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate

methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate (PubChem CID 116856914) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate
PubChem CID116856914
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Namemethyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate
SMILESCOC(=O)C(N)c1cc(Cl)c(OC)cc1C
InChIInChI=1S/C11H14ClNO3/c1-6-4-9(15-2)8(12)5-7(6)10(13)11(14)16-3/h4-5,10H,13H2,1-3H3
InChIKeyNUMLWTQBLZDVIF-UHFFFAOYSA-N
XLogP1.83
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(5-chloro-4-methoxy-2-methylphenyl)butanoate
CID 116964394
methyl (2S)-2-amino-2-(5-chloro-2-methoxyphenyl)acetate
CID 171215055
2-chloro-2-(5-chloro-4-methoxy-2-methylphenyl)acetic acid
CID 82296774
2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde
CID 116939033
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylbutan-1-ol
CID 82300217
methyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate
CID 7278759
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)ethanethiol
CID 116868616
methyl (2R)-2-amino-2-(4-chloro-3-methoxyphenyl)acetate
CID 171230748
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 116836078
2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetonitrile
CID 116851014
amino-(5-chloro-2-methoxy-4-methylphenyl)methanethiol
CID 116939471
1-(5-chloro-4-methoxy-2-methylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935046

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate?
The IUPAC name of methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate (CID 116856914) is methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate.
What is the SMILES notation for methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate?
The canonical SMILES for methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate is COC(=O)C(N)c1cc(Cl)c(OC)cc1C.
What is the InChIKey of methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate?
The InChIKey is NUMLWTQBLZDVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-6-4-9(15-2)8(12)5-7(6)10(13)11(14)16-3/h4-5,10H,13H2,1-3H3.
What are the key properties of methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate?
methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate has a molecular weight of 243.69 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetate is sourced from PubChem (CID 116856914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).