methyl 2-(3-amino-2-methoxy-6-phenylphenyl)acetate

C16H17NO3 — CID 11086866

IUPACmethyl 2-(3-amino-2-methoxy-6-phenylphenyl)acetate
SMILESCOC(=O)Cc1c(-c2ccccc2)ccc(N)c1OC
InChIInChI=1S/C16H17NO3/c1-19-15(18)10-13-12(11-6-4-3-5-7-11)8-9-14(17)16(13)20-2/h3-9H,10,17H2,1-2H3
InChIKeyZPSOCWFCAIYOMX-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.66
Rot. Bonds4

About methyl 2-(3-amino-2-methoxy-6-phenylphenyl)acetate

methyl 2-(3-amino-2-methoxy-6-phenylphenyl)acetate (PubChem CID 11086866) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 2-(3-amino-2-methoxy-6-phenylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-amino-2-methoxy-6-phenylphenyl)acetate
PubChem CID11086866
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Namemethyl 2-(3-amino-2-methoxy-6-phenylphenyl)acetate
SMILESCOC(=O)Cc1c(-c2ccccc2)ccc(N)c1OC
InChIInChI=1S/C16H17NO3/c1-19-15(18)10-13-12(11-6-4-3-5-7-11)8-9-14(17)16(13)20-2/h3-9H,10,17H2,1-2H3
InChIKeyZPSOCWFCAIYOMX-UHFFFAOYSA-N
XLogP2.66
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(3,6-diamino-2-methoxyphenyl)acetate
CID 171030798
methyl 2-(4-aminonaphthalen-1-yl)acetate;hydrochloride
CID 44533305
methyl 2-[3-amino-2-fluoro-6-[3-(phenylmethoxycarbonylamino)phenyl]phenyl]acetate
CID 11729234
methyl 2-(2-bromo-1H-indol-3-yl)acetate
CID 27281283
methyl 2-(4-amino-3-fluoro-2-methoxyphenyl)acetate
CID 171030606
2,6-dimethoxy-3-phenylbenzoic acid
CID 68897922
methyl 2,6-dimethoxy-3-phenylbenzoate
CID 142664398
methyl 2-(2-phenyl-5-propanoylphenyl)acetate
CID 57288520
2-(2-amino-6-phenylphenyl)acetic acid
CID 13048602
2,3-dimethoxy-4-phenylbenzoic acid
CID 22633208
2-[3-(carboxymethyl)-4-methoxy-5-phenylphenyl]acetic acid
CID 175958924
2,6-dimethoxy-3-phenylbenzamide
CID 68897697

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-amino-2-methoxy-6-phenylphenyl)acetate?
The IUPAC name of methyl 2-(3-amino-2-methoxy-6-phenylphenyl)acetate (CID 11086866) is methyl 2-(3-amino-2-methoxy-6-phenylphenyl)acetate.
What is the SMILES notation for methyl 2-(3-amino-2-methoxy-6-phenylphenyl)acetate?
The canonical SMILES for methyl 2-(3-amino-2-methoxy-6-phenylphenyl)acetate is COC(=O)Cc1c(-c2ccccc2)ccc(N)c1OC.
What is the InChIKey of methyl 2-(3-amino-2-methoxy-6-phenylphenyl)acetate?
The InChIKey is ZPSOCWFCAIYOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-15(18)10-13-12(11-6-4-3-5-7-11)8-9-14(17)16(13)20-2/h3-9H,10,17H2,1-2H3.
What are the key properties of methyl 2-(3-amino-2-methoxy-6-phenylphenyl)acetate?
methyl 2-(3-amino-2-methoxy-6-phenylphenyl)acetate has a molecular weight of 271.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-amino-2-methoxy-6-phenylphenyl)acetate is sourced from PubChem (CID 11086866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).