2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid

C12H17NO4 — CID 60712632

IUPAC2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
SMILESCOc1ccc(CN(C)CC(=O)O)c(OC)c1
InChIInChI=1S/C12H17NO4/c1-13(8-12(14)15)7-9-4-5-10(16-2)6-11(9)17-3/h4-6H,7-8H2,1-3H3,(H,14,15)
InChIKeyHXXXPQJSBKHBFR-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.22
Rot. Bonds6

About 2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid

2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid (PubChem CID 60712632) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
PubChem CID60712632
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
SMILESCOc1ccc(CN(C)CC(=O)O)c(OC)c1
InChIInChI=1S/C12H17NO4/c1-13(8-12(14)15)7-9-4-5-10(16-2)6-11(9)17-3/h4-6H,7-8H2,1-3H3,(H,14,15)
InChIKeyHXXXPQJSBKHBFR-UHFFFAOYSA-N
XLogP1.22
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]acetic acid
CID 102877379
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 79268622
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39364524
5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236585
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8007102
2-[2-chloro-N-[(2,4-dimethoxyphenyl)methyl]anilino]acetic acid
CID 69368554
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
CID 8845610
3-[(2,4-dimethoxyphenyl)methyl-methylamino]-1-(2,6-dimethoxy-4-pyridinyl)propan-1-one
CID 130407748
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
N-[(2,4-dimethoxyphenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 115257937
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2698960

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid (CID 60712632) is 2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid is COc1ccc(CN(C)CC(=O)O)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid?
The InChIKey is HXXXPQJSBKHBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-13(8-12(14)15)7-9-4-5-10(16-2)6-11(9)17-3/h4-6H,7-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid?
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid has a molecular weight of 239.27 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid is sourced from PubChem (CID 60712632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).