4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoic acid

C14H21NO3 — CID 82350962

IUPAC4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoic acid
SMILESCNC(CC(=O)O)Cc1c(C)cc(OC)cc1C
InChIInChI=1S/C14H21NO3/c1-9-5-12(18-4)6-10(2)13(9)7-11(15-3)8-14(16)17/h5-6,11,15H,7-8H2,1-4H3,(H,16,17)
InChIKeyGILVDAATCAMEON-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.92
Rot. Bonds6

About 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoic acid

4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoic acid (PubChem CID 82350962) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoic acid.

Molecular Properties

Compound Name4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoic acid
PubChem CID82350962
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoic acid
SMILESCNC(CC(=O)O)Cc1c(C)cc(OC)cc1C
InChIInChI=1S/C14H21NO3/c1-9-5-12(18-4)6-10(2)13(9)7-11(15-3)8-14(16)17/h5-6,11,15H,7-8H2,1-4H3,(H,16,17)
InChIKeyGILVDAATCAMEON-UHFFFAOYSA-N
XLogP1.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoate
CID 82351560
3-(butan-2-ylamino)-4-(4-methoxy-2,6-dimethylphenyl)butanoic acid
CID 82350952
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,6-trimethylphenyl)butanoic acid
CID 137332837
4-methoxy-N,4-dimethyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 103025022
4-(3,5-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 137332843
3-amino-4-(4-methoxy-2-methylphenyl)butanoic acid
CID 82351098
2-(2-bromopentyl)-5-methoxy-1,3-dimethylbenzene
CID 82255002
2-(methylamino)-3-(2,4,6-trimethoxyphenyl)propanoic acid
CID 116932024
(4-methoxy-2,6-dimethylphenyl)methanamine
CID 82266532
1-(4-methoxy-2,6-dimethylphenyl)butan-2-amine
CID 82255191
2-[[2-(4-methoxy-2,6-dimethylphenyl)acetyl]-methylamino]acetic acid
CID 110834450
3-(3,5-dimethoxyanilino)butanoic acid
CID 43536666

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoic acid?
The IUPAC name of 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoic acid (CID 82350962) is 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoic acid.
What is the SMILES notation for 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoic acid?
The canonical SMILES for 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoic acid is CNC(CC(=O)O)Cc1c(C)cc(OC)cc1C.
What is the InChIKey of 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoic acid?
The InChIKey is GILVDAATCAMEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9-5-12(18-4)6-10(2)13(9)7-11(15-3)8-14(16)17/h5-6,11,15H,7-8H2,1-4H3,(H,16,17).
What are the key properties of 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoic acid?
4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoic acid has a molecular weight of 251.33 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-2,6-dimethylphenyl)-3-(methylamino)butanoic acid is sourced from PubChem (CID 82350962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).