2-[3-(2-methylpropoxy)anilino]propanoic acid

C13H19NO3 — CID 66174540

IUPAC2-[3-(2-methylpropoxy)anilino]propanoic acid
SMILESCC(C)COc1cccc(NC(C)C(=O)O)c1
InChIInChI=1S/C13H19NO3/c1-9(2)8-17-12-6-4-5-11(7-12)14-10(3)13(15)16/h4-7,9-10,14H,8H2,1-3H3,(H,15,16)
InChIKeySGAZOXKRAFVBRM-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.61
Rot. Bonds6

About 2-[3-(2-methylpropoxy)anilino]propanoic acid

2-[3-(2-methylpropoxy)anilino]propanoic acid (PubChem CID 66174540) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[3-(2-methylpropoxy)anilino]propanoic acid.

Molecular Properties

Compound Name2-[3-(2-methylpropoxy)anilino]propanoic acid
PubChem CID66174540
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[3-(2-methylpropoxy)anilino]propanoic acid
SMILESCC(C)COc1cccc(NC(C)C(=O)O)c1
InChIInChI=1S/C13H19NO3/c1-9(2)8-17-12-6-4-5-11(7-12)14-10(3)13(15)16/h4-7,9-10,14H,8H2,1-3H3,(H,15,16)
InChIKeySGAZOXKRAFVBRM-UHFFFAOYSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(2-methylpropoxy)anilino]propanoic 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

N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
3-[3-(2-methylpropoxy)anilino]-3-oxopropanoic acid
CID 62230040
(2R)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid
CID 2334250
2-[[3-(2-methylpropoxy)phenyl]sulfamoyl]acetic acid
CID 54867388
N-(3-methylpentan-2-yl)-3-(2-methylpropoxy)aniline
CID 63449668
2-hydroxyethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 79346235
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
2-[3-[1-carboxyethoxy(nitro)methoxy]anilino]propanoic acid
CID 171783292
[3-(2-methylpropoxy)phenyl]hydrazine
CID 55281229
4-(2-methylpropoxy)-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079614
ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 60643144

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpropoxy)anilino]propanoic acid?
The IUPAC name of 2-[3-(2-methylpropoxy)anilino]propanoic acid (CID 66174540) is 2-[3-(2-methylpropoxy)anilino]propanoic acid.
What is the SMILES notation for 2-[3-(2-methylpropoxy)anilino]propanoic acid?
The canonical SMILES for 2-[3-(2-methylpropoxy)anilino]propanoic acid is CC(C)COc1cccc(NC(C)C(=O)O)c1.
What is the InChIKey of 2-[3-(2-methylpropoxy)anilino]propanoic acid?
The InChIKey is SGAZOXKRAFVBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)8-17-12-6-4-5-11(7-12)14-10(3)13(15)16/h4-7,9-10,14H,8H2,1-3H3,(H,15,16).
What are the key properties of 2-[3-(2-methylpropoxy)anilino]propanoic acid?
2-[3-(2-methylpropoxy)anilino]propanoic acid has a molecular weight of 237.30 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpropoxy)anilino]propanoic acid is sourced from PubChem (CID 66174540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).