2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid

C15H23NO4 — CID 79268622

IUPAC2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
SMILESCOc1ccc(CN(CC(=O)O)C(C)(C)C)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-15(2,3)16(10-14(17)18)9-11-6-7-12(19-4)8-13(11)20-5/h6-8H,9-10H2,1-5H3,(H,17,18)
InChIKeyZGDPTYHYNJSGKW-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.39
Rot. Bonds6

About 2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid

2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid (PubChem CID 79268622) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
PubChem CID79268622
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
SMILESCOc1ccc(CN(CC(=O)O)C(C)(C)C)c(OC)c1
InChIInChI=1S/C15H23NO4/c1-15(2,3)16(10-14(17)18)9-11-6-7-12(19-4)8-13(11)20-5/h6-8H,9-10H2,1-5H3,(H,17,18)
InChIKeyZGDPTYHYNJSGKW-UHFFFAOYSA-N
XLogP2.39
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
3-[tert-butyl-[(2,5-dimethoxyphenyl)methyl]amino]propanoic acid
CID 60833669
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39364524
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
2-[2-chloro-N-[(2,4-dimethoxyphenyl)methyl]anilino]acetic acid
CID 69368554
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid
CID 60827055
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
2-cyano-N-[(2,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 47230621
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxy-N-methylbenzamide
CID 18111734
2-[tert-butyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]acetic acid
CID 82892804
2-[(2,4-dimethoxyphenyl)methylamino]acetic acid
CID 11042399

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid (CID 79268622) is 2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid is COc1ccc(CN(CC(=O)O)C(C)(C)C)c(OC)c1.
What is the InChIKey of 2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid?
The InChIKey is ZGDPTYHYNJSGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2,3)16(10-14(17)18)9-11-6-7-12(19-4)8-13(11)20-5/h6-8H,9-10H2,1-5H3,(H,17,18).
What are the key properties of 2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid?
2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid has a molecular weight of 281.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 79268622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).