2-[(2-methoxy-5-propan-2-ylanilino)methyl]butanoic acid

C15H23NO3 — CID 115249687

IUPAC2-[(2-methoxy-5-propan-2-ylanilino)methyl]butanoic acid
SMILESCCC(CNc1cc(C(C)C)ccc1OC)C(=O)O
InChIInChI=1S/C15H23NO3/c1-5-11(15(17)18)9-16-13-8-12(10(2)3)6-7-14(13)19-4/h6-8,10-11,16H,5,9H2,1-4H3,(H,17,18)
InChIKeyBIBFXFZBDYRVHX-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.34
Rot. Bonds7

About 2-[(2-methoxy-5-propan-2-ylanilino)methyl]butanoic acid

2-[(2-methoxy-5-propan-2-ylanilino)methyl]butanoic acid (PubChem CID 115249687) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-[(2-methoxy-5-propan-2-ylanilino)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(2-methoxy-5-propan-2-ylanilino)methyl]butanoic acid
PubChem CID115249687
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-[(2-methoxy-5-propan-2-ylanilino)methyl]butanoic acid
SMILESCCC(CNc1cc(C(C)C)ccc1OC)C(=O)O
InChIInChI=1S/C15H23NO3/c1-5-11(15(17)18)9-16-13-8-12(10(2)3)6-7-14(13)19-4/h6-8,10-11,16H,5,9H2,1-4H3,(H,17,18)
InChIKeyBIBFXFZBDYRVHX-UHFFFAOYSA-N
XLogP3.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methoxy-5-propan-2-ylanilino)methyl]butanoic 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

4-(2-methoxy-4-propan-2-ylanilino)-2-methylbutanoic acid
CID 115220531
2-hydroxy-N-(2-methoxy-5-propan-2-ylphenyl)acetamide
CID 115139566
2-(ethylamino)-N-(2-methoxy-5-propan-2-ylphenyl)acetamide
CID 115157667
2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]butanoic acid
CID 65219720
3-(2-methoxy-4-propan-2-ylanilino)-2,2-dimethylpropanoic acid
CID 115136415
2-(hydroxymethyl)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-one
CID 116923029
N-(2-methoxy-4-propan-2-ylphenyl)propanamide
CID 110777573
2-[(5-fluoro-2-methoxyanilino)methyl]-3-methylbutanoic acid
CID 115250173
2-acetamido-N-(2-methoxy-5-propan-2-ylphenyl)acetamide
CID 71156213
(2-methoxy-4-propan-2-ylanilino)methanethiol
CID 115227622
1-(2-methoxy-5-propan-2-ylphenyl)butane-1,2-dione
CID 94686155
4-amino-N-(2-methoxy-5-propan-2-ylphenyl)-3-methylbutanamide
CID 115156209

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-propan-2-ylanilino)methyl]butanoic acid?
The IUPAC name of 2-[(2-methoxy-5-propan-2-ylanilino)methyl]butanoic acid (CID 115249687) is 2-[(2-methoxy-5-propan-2-ylanilino)methyl]butanoic acid.
What is the SMILES notation for 2-[(2-methoxy-5-propan-2-ylanilino)methyl]butanoic acid?
The canonical SMILES for 2-[(2-methoxy-5-propan-2-ylanilino)methyl]butanoic acid is CCC(CNc1cc(C(C)C)ccc1OC)C(=O)O.
What is the InChIKey of 2-[(2-methoxy-5-propan-2-ylanilino)methyl]butanoic acid?
The InChIKey is BIBFXFZBDYRVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-11(15(17)18)9-16-13-8-12(10(2)3)6-7-14(13)19-4/h6-8,10-11,16H,5,9H2,1-4H3,(H,17,18).
What are the key properties of 2-[(2-methoxy-5-propan-2-ylanilino)methyl]butanoic acid?
2-[(2-methoxy-5-propan-2-ylanilino)methyl]butanoic acid has a molecular weight of 265.35 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-propan-2-ylanilino)methyl]butanoic acid is sourced from PubChem (CID 115249687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).