4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoic acid

C13H20N2O3 — CID 63053456

IUPAC4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoic acid
SMILESCNC(CCN(C)c1ccccc1OC)C(=O)O
InChIInChI=1S/C13H20N2O3/c1-14-10(13(16)17)8-9-15(2)11-6-4-5-7-12(11)18-3/h4-7,10,14H,8-9H2,1-3H3,(H,16,17)
InChIKeyHKVMALXNLHWRBU-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.19
Rot. Bonds7

About 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoic acid

4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoic acid (PubChem CID 63053456) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoic acid
PubChem CID63053456
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoic acid
SMILESCNC(CCN(C)c1ccccc1OC)C(=O)O
InChIInChI=1S/C13H20N2O3/c1-14-10(13(16)17)8-9-15(2)11-6-4-5-7-12(11)18-3/h4-7,10,14H,8-9H2,1-3H3,(H,16,17)
InChIKeyHKVMALXNLHWRBU-UHFFFAOYSA-N
XLogP1.19
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-methoxy-N-methylanilino)-2-(methylamino)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

methyl 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoate
CID 63053805
4-(2-methoxy-N-methylanilino)-2-(propylamino)butanamide
CID 63053276
4-(2-methoxy-N-methylanilino)-2,2-dimethylbutanoic acid
CID 65247680
2-methoxy-N-methyl-N-propylaniline
CID 23198488
3-(2-methoxy-N-methylanilino)-2-(methylamino)propan-1-ol
CID 64791521
1-(4-bromophenyl)-3-(2-methoxy-N-methylanilino)propan-1-ol
CID 62619697
2-(2-methoxy-N-methylanilino)-N-phenylacetamide
CID 47280952
3-(2-methoxy-N-propan-2-ylanilino)propanoic acid
CID 82318620
(2S)-2-hydroxy-4-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid
CID 107839522
4-(2-ethylphenoxy)-2-(methylamino)butanoic acid
CID 63034947
3-[2-(2-methoxyphenyl)ethylamino]-2-(methylamino)propanoic acid
CID 115256258
4-[2-methoxyethyl(methyl)amino]-2-(methylamino)butanoic acid
CID 63055017

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoic acid?
The IUPAC name of 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoic acid (CID 63053456) is 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoic acid.
What is the SMILES notation for 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoic acid?
The canonical SMILES for 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoic acid is CNC(CCN(C)c1ccccc1OC)C(=O)O.
What is the InChIKey of 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoic acid?
The InChIKey is HKVMALXNLHWRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-14-10(13(16)17)8-9-15(2)11-6-4-5-7-12(11)18-3/h4-7,10,14H,8-9H2,1-3H3,(H,16,17).
What are the key properties of 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoic acid?
4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoic acid has a molecular weight of 252.31 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoic acid is sourced from PubChem (CID 63053456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).