2-amino-4-(2-methoxy-N,3,5-trimethylanilino)butanoic acid

C14H22N2O3 — CID 115241124

IUPAC2-amino-4-(2-methoxy-N,3,5-trimethylanilino)butanoic acid
SMILESCOc1c(C)cc(C)cc1N(C)CCC(N)C(=O)O
InChIInChI=1S/C14H22N2O3/c1-9-7-10(2)13(19-4)12(8-9)16(3)6-5-11(15)14(17)18/h7-8,11H,5-6,15H2,1-4H3,(H,17,18)
InChIKeySGXHSAPOFIJKIV-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.55
Rot. Bonds6

About 2-amino-4-(2-methoxy-N,3,5-trimethylanilino)butanoic acid

2-amino-4-(2-methoxy-N,3,5-trimethylanilino)butanoic acid (PubChem CID 115241124) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-amino-4-(2-methoxy-N,3,5-trimethylanilino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(2-methoxy-N,3,5-trimethylanilino)butanoic acid
PubChem CID115241124
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-amino-4-(2-methoxy-N,3,5-trimethylanilino)butanoic acid
SMILESCOc1c(C)cc(C)cc1N(C)CCC(N)C(=O)O
InChIInChI=1S/C14H22N2O3/c1-9-7-10(2)13(19-4)12(8-9)16(3)6-5-11(15)14(17)18/h7-8,11H,5-6,15H2,1-4H3,(H,17,18)
InChIKeySGXHSAPOFIJKIV-UHFFFAOYSA-N
XLogP1.55
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-methoxy-3,5-dimethylphenyl)-N',2-dimethylbutane-1,4-diamine
CID 115203086
2-amino-4-(2,4-dimethoxy-N-methylanilino)butanoic acid
CID 115241105
(2-methoxy-3,5-dimethylphenyl)-methylcarbamic acid
CID 115170741
N'-(2-methoxy-3,5-dimethylphenyl)-N,N'-dimethylethane-1,2-diamine
CID 96672556
2-amino-4-(4-methoxy-3,5-dimethylanilino)butanoic acid
CID 115241061
3-(2-methoxy-N,3,5-trimethylanilino)propanenitrile
CID 115230771
3-(2-methoxy-N,3,5-trimethylanilino)-3-oxopropanoic acid
CID 115163317
2-[(2-methoxy-N,3,5-trimethylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115221411
2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid
CID 115240536
N'-(2-methoxy-3,5-dimethylphenyl)-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252419
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methoxy-N,3,5-trimethylaniline
CID 115243996
[3-[(2-methoxy-N,3,5-trimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248903

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methoxy-N,3,5-trimethylanilino)butanoic acid?
The IUPAC name of 2-amino-4-(2-methoxy-N,3,5-trimethylanilino)butanoic acid (CID 115241124) is 2-amino-4-(2-methoxy-N,3,5-trimethylanilino)butanoic acid.
What is the SMILES notation for 2-amino-4-(2-methoxy-N,3,5-trimethylanilino)butanoic acid?
The canonical SMILES for 2-amino-4-(2-methoxy-N,3,5-trimethylanilino)butanoic acid is COc1c(C)cc(C)cc1N(C)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-(2-methoxy-N,3,5-trimethylanilino)butanoic acid?
The InChIKey is SGXHSAPOFIJKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-7-10(2)13(19-4)12(8-9)16(3)6-5-11(15)14(17)18/h7-8,11H,5-6,15H2,1-4H3,(H,17,18).
What are the key properties of 2-amino-4-(2-methoxy-N,3,5-trimethylanilino)butanoic acid?
2-amino-4-(2-methoxy-N,3,5-trimethylanilino)butanoic acid has a molecular weight of 266.34 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methoxy-N,3,5-trimethylanilino)butanoic acid is sourced from PubChem (CID 115241124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).