2-(methylamino)-2-(3-methyl-4-propan-2-yloxyphenyl)acetic acid

C13H19NO3 — CID 82476689

IUPAC2-(methylamino)-2-(3-methyl-4-propan-2-yloxyphenyl)acetic acid
SMILESCNC(C(=O)O)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C13H19NO3/c1-8(2)17-11-6-5-10(7-9(11)3)12(14-4)13(15)16/h5-8,12,14H,1-4H3,(H,15,16)
InChIKeyVNBQJORKPYKZEO-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.13
Rot. Bonds5

About 2-(methylamino)-2-(3-methyl-4-propan-2-yloxyphenyl)acetic acid

2-(methylamino)-2-(3-methyl-4-propan-2-yloxyphenyl)acetic acid (PubChem CID 82476689) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(methylamino)-2-(3-methyl-4-propan-2-yloxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(methylamino)-2-(3-methyl-4-propan-2-yloxyphenyl)acetic acid
PubChem CID82476689
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(methylamino)-2-(3-methyl-4-propan-2-yloxyphenyl)acetic acid
SMILESCNC(C(=O)O)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C13H19NO3/c1-8(2)17-11-6-5-10(7-9(11)3)12(14-4)13(15)16/h5-8,12,14H,1-4H3,(H,15,16)
InChIKeyVNBQJORKPYKZEO-UHFFFAOYSA-N
XLogP2.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(methylamino)-2-(3-methyl-4-propan-2-yloxyphenyl)acetic acid 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-(methylamino)-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 112518832
2-[1-(3-methyl-4-propan-2-yloxyphenyl)ethoxy]acetic acid
CID 112514675
3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid
CID 112516192
2-(3-ethyl-4-methoxyphenyl)-2-(methylamino)acetic acid
CID 82473167
2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]propanoic acid
CID 43362323
2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol
CID 117297903
(2R)-2-(methylamino)-2-(4-propan-2-ylphenyl)acetic acid
CID 93280068
3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 112512772
methyl 3-methyl-4-propan-2-yloxybenzoate
CID 58439062
2,2-dichloro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanol
CID 164892670
2-methyl-4-pentan-3-yl-1-propan-2-yloxybenzene
CID 134400936
2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]butanoic acid
CID 43470047

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-(3-methyl-4-propan-2-yloxyphenyl)acetic acid?
The IUPAC name of 2-(methylamino)-2-(3-methyl-4-propan-2-yloxyphenyl)acetic acid (CID 82476689) is 2-(methylamino)-2-(3-methyl-4-propan-2-yloxyphenyl)acetic acid.
What is the SMILES notation for 2-(methylamino)-2-(3-methyl-4-propan-2-yloxyphenyl)acetic acid?
The canonical SMILES for 2-(methylamino)-2-(3-methyl-4-propan-2-yloxyphenyl)acetic acid is CNC(C(=O)O)c1ccc(OC(C)C)c(C)c1.
What is the InChIKey of 2-(methylamino)-2-(3-methyl-4-propan-2-yloxyphenyl)acetic acid?
The InChIKey is VNBQJORKPYKZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8(2)17-11-6-5-10(7-9(11)3)12(14-4)13(15)16/h5-8,12,14H,1-4H3,(H,15,16).
What are the key properties of 2-(methylamino)-2-(3-methyl-4-propan-2-yloxyphenyl)acetic acid?
2-(methylamino)-2-(3-methyl-4-propan-2-yloxyphenyl)acetic acid has a molecular weight of 237.30 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-(3-methyl-4-propan-2-yloxyphenyl)acetic acid is sourced from PubChem (CID 82476689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).