2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl(2-methylprop-2-enyl)amino]acetic acid

C16H23NO3 — CID 46998255

IUPAC2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl(2-methylprop-2-enyl)amino]acetic acid
SMILESC=C(C)CN(C)C(C(=O)O)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C16H23NO3/c1-10(2)9-17(5)14(16(18)19)13-7-11(3)15(20-6)12(4)8-13/h7-8,14H,1,9H2,2-6H3,(H,18,19)
InChIKeyIJPFODAUPHXBPD-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.95
Rot. Bonds6

About 2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl(2-methylprop-2-enyl)amino]acetic acid

2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl(2-methylprop-2-enyl)amino]acetic acid (PubChem CID 46998255) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl(2-methylprop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl(2-methylprop-2-enyl)amino]acetic acid
PubChem CID46998255
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl(2-methylprop-2-enyl)amino]acetic acid
SMILESC=C(C)CN(C)C(C(=O)O)c1cc(C)c(OC)c(C)c1
InChIInChI=1S/C16H23NO3/c1-10(2)9-17(5)14(16(18)19)13-7-11(3)15(20-6)12(4)8-13/h7-8,14H,1,9H2,2-6H3,(H,18,19)
InChIKeyIJPFODAUPHXBPD-UHFFFAOYSA-N
XLogP2.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-2-(4-methoxy-3,5-dimethylphenyl)acetamide
CID 116914802
2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]acetic acid
CID 46995566
4-(dimethylamino)-4-(4-methoxy-3,5-dimethylphenyl)butan-2-one
CID 116910577
2-[ethyl(oxan-4-ylmethyl)amino]-2-(4-methoxy-3,5-dimethylphenyl)acetic acid
CID 46984302
3-amino-2-(3-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
CID 117323026
2-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 116964178
2-[carboxymethyl(methyl)amino]-2-(4-propan-2-ylphenyl)acetic acid
CID 84748660
1-chloro-1-(4-methoxy-3,5-dimethylphenyl)-N,N-dimethylmethanamine
CID 116915289
2-(azetidin-1-yl)-2-(4-methoxy-3,5-dimethylphenyl)acetic acid
CID 46996116
2-[formyl(methyl)amino]-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 63689458
2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117325097
2-(3,4-dimethoxy-5-methylphenyl)propanoic acid
CID 117321873

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl(2-methylprop-2-enyl)amino]acetic acid?
The IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl(2-methylprop-2-enyl)amino]acetic acid (CID 46998255) is 2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl(2-methylprop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl(2-methylprop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl(2-methylprop-2-enyl)amino]acetic acid is C=C(C)CN(C)C(C(=O)O)c1cc(C)c(OC)c(C)c1.
What is the InChIKey of 2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl(2-methylprop-2-enyl)amino]acetic acid?
The InChIKey is IJPFODAUPHXBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-10(2)9-17(5)14(16(18)19)13-7-11(3)15(20-6)12(4)8-13/h7-8,14H,1,9H2,2-6H3,(H,18,19).
What are the key properties of 2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl(2-methylprop-2-enyl)amino]acetic acid?
2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl(2-methylprop-2-enyl)amino]acetic acid has a molecular weight of 277.36 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3,5-dimethylphenyl)-2-[methyl(2-methylprop-2-enyl)amino]acetic acid is sourced from PubChem (CID 46998255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).