methyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]acetate

C13H19NO3 — CID 115232862

IUPACmethyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]acetate
SMILESCOC(=O)CNCc1cc(C)c(OC)cc1C
InChIInChI=1S/C13H19NO3/c1-9-6-12(16-3)10(2)5-11(9)7-14-8-13(15)17-4/h5-6,14H,7-8H2,1-4H3
InChIKeyPDYPSYINYSHSFB-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.57
Rot. Bonds5

About methyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]acetate

methyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]acetate (PubChem CID 115232862) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]acetate
PubChem CID115232862
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]acetate
SMILESCOC(=O)CNCc1cc(C)c(OC)cc1C
InChIInChI=1S/C13H19NO3/c1-9-6-12(16-3)10(2)5-11(9)7-14-8-13(15)17-4/h5-6,14H,7-8H2,1-4H3
InChIKeyPDYPSYINYSHSFB-UHFFFAOYSA-N
XLogP1.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxy-2,5-dimethylphenyl)methylamino]propan-2-one
CID 115234701
methyl 2-[(5-chloro-4-methoxy-2-methylphenyl)methylamino]acetate
CID 115232874
2-[(4,5-dimethoxy-2-methylphenyl)methylamino]acetic acid
CID 43465736
3-[(4-methoxy-2,5-dimethylphenyl)methylamino]propanoic acid
CID 98784083
[(4-methoxy-2,5-dimethylphenyl)methylamino]methanethiol
CID 115227904
methyl 2-[(2,5-dimethylphenyl)methylamino]acetate
CID 60687577
4-[(4-methoxy-2,5-dimethylphenyl)methylamino]-3-methylbutanoic acid
CID 115219916
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-oxobutanamide
CID 115176376
2-hydroxy-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpropanamide
CID 115178746
2,2,2-trifluoro-N-[(4-methoxy-2,5-dimethylphenyl)methyl]acetamide
CID 115190244
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)methanamine
CID 871572
ethyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]-2-oxoacetate
CID 115141968

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]acetate?
The IUPAC name of methyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]acetate (CID 115232862) is methyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]acetate?
The canonical SMILES for methyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]acetate is COC(=O)CNCc1cc(C)c(OC)cc1C.
What is the InChIKey of methyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]acetate?
The InChIKey is PDYPSYINYSHSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-6-12(16-3)10(2)5-11(9)7-14-8-13(15)17-4/h5-6,14H,7-8H2,1-4H3.
What are the key properties of methyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]acetate?
methyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]acetate has a molecular weight of 237.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxy-2,5-dimethylphenyl)methylamino]acetate is sourced from PubChem (CID 115232862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).