(3-methoxyphenyl)methyl 2-amino-2-phenylacetate

C16H17NO3 — CID 61277984

IUPAC(3-methoxyphenyl)methyl 2-amino-2-phenylacetate
SMILESCOc1cccc(COC(=O)C(N)c2ccccc2)c1
InChIInChI=1S/C16H17NO3/c1-19-14-9-5-6-12(10-14)11-20-16(18)15(17)13-7-3-2-4-8-13/h2-10,15H,11,17H2,1H3
InChIKeyQHTZQWLBULQQHX-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.44
Rot. Bonds5

About (3-methoxyphenyl)methyl 2-amino-2-phenylacetate

(3-methoxyphenyl)methyl 2-amino-2-phenylacetate (PubChem CID 61277984) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 2-amino-2-phenylacetate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 2-amino-2-phenylacetate
PubChem CID61277984
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(3-methoxyphenyl)methyl 2-amino-2-phenylacetate
SMILESCOc1cccc(COC(=O)C(N)c2ccccc2)c1
InChIInChI=1S/C16H17NO3/c1-19-14-9-5-6-12(10-14)11-20-16(18)15(17)13-7-3-2-4-8-13/h2-10,15H,11,17H2,1H3
InChIKeyQHTZQWLBULQQHX-UHFFFAOYSA-N
XLogP2.44
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-methoxyphenyl)methyl 2-amino-2-phenylacetate 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

(3-methoxyphenyl)methyl 3-amino-2-phenylpropanoate
CID 62879024
(3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 61280030
(3-methoxyphenyl)methyl (2S)-2-amino-3-methylbutanoate
CID 61277798
(3-methoxyphenyl)methyl 3-phenyl-2-sulfanylpropanoate
CID 107018262
(3-methoxyphenyl)methyl 2-amino-3-methoxypropanoate
CID 81084881
(3-methoxyphenyl)methyl (2R)-2-amino-4-hydroxybutanoate
CID 107825319
benzyl (2R)-2-hydroxy-3-(3-methoxyphenyl)propanoate
CID 54541379
(3-methoxyphenyl)methyl 2-hydroxyprop-2-enoate
CID 174537082
(3-methoxyphenyl)methyl 2-sulfanylacetate
CID 107018257
(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
CID 23548690
methyl (2R)-2-amino-2-(3-methoxyphenyl)acetate;hydrochloride
CID 171219744
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 51289830

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 2-amino-2-phenylacetate?
The IUPAC name of (3-methoxyphenyl)methyl 2-amino-2-phenylacetate (CID 61277984) is (3-methoxyphenyl)methyl 2-amino-2-phenylacetate.
What is the SMILES notation for (3-methoxyphenyl)methyl 2-amino-2-phenylacetate?
The canonical SMILES for (3-methoxyphenyl)methyl 2-amino-2-phenylacetate is COc1cccc(COC(=O)C(N)c2ccccc2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 2-amino-2-phenylacetate?
The InChIKey is QHTZQWLBULQQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-14-9-5-6-12(10-14)11-20-16(18)15(17)13-7-3-2-4-8-13/h2-10,15H,11,17H2,1H3.
What are the key properties of (3-methoxyphenyl)methyl 2-amino-2-phenylacetate?
(3-methoxyphenyl)methyl 2-amino-2-phenylacetate has a molecular weight of 271.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 2-amino-2-phenylacetate is sourced from PubChem (CID 61277984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).