3-amino-4-(5-ethyl-2-methoxy-N-methylanilino)butanoic acid

C14H22N2O3 — CID 115241577

IUPAC3-amino-4-(5-ethyl-2-methoxy-N-methylanilino)butanoic acid
SMILESCCc1ccc(OC)c(N(C)CC(N)CC(=O)O)c1
InChIInChI=1S/C14H22N2O3/c1-4-10-5-6-13(19-3)12(7-10)16(2)9-11(15)8-14(17)18/h5-7,11H,4,8-9,15H2,1-3H3,(H,17,18)
InChIKeyRRMGLDUPJXYLQD-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.50
Rot. Bonds7

About 3-amino-4-(5-ethyl-2-methoxy-N-methylanilino)butanoic acid

3-amino-4-(5-ethyl-2-methoxy-N-methylanilino)butanoic acid (PubChem CID 115241577) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-amino-4-(5-ethyl-2-methoxy-N-methylanilino)butanoic acid.

Molecular Properties

Compound Name3-amino-4-(5-ethyl-2-methoxy-N-methylanilino)butanoic acid
PubChem CID115241577
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-amino-4-(5-ethyl-2-methoxy-N-methylanilino)butanoic acid
SMILESCCc1ccc(OC)c(N(C)CC(N)CC(=O)O)c1
InChIInChI=1S/C14H22N2O3/c1-4-10-5-6-13(19-3)12(7-10)16(2)9-11(15)8-14(17)18/h5-7,11H,4,8-9,15H2,1-3H3,(H,17,18)
InChIKeyRRMGLDUPJXYLQD-UHFFFAOYSA-N
XLogP1.50
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(bromomethyl)-5-ethyl-2-methoxy-N-methylaniline
CID 115261714
2-(5-ethyl-2-methoxy-N-methylanilino)-2-methylpropanoic acid
CID 115127869
N'-(5-ethyl-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 115226672
2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol
CID 115120374
[1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243357
2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol
CID 115120381
2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid
CID 115240536
3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119499
2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol
CID 115120393
3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol
CID 115133960
1-(aminomethyl)-N-(5-ethyl-2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 115182612
3-amino-4-[2-(4-methoxy-3-methylphenyl)ethylamino]butanoic acid
CID 115241806

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(5-ethyl-2-methoxy-N-methylanilino)butanoic acid?
The IUPAC name of 3-amino-4-(5-ethyl-2-methoxy-N-methylanilino)butanoic acid (CID 115241577) is 3-amino-4-(5-ethyl-2-methoxy-N-methylanilino)butanoic acid.
What is the SMILES notation for 3-amino-4-(5-ethyl-2-methoxy-N-methylanilino)butanoic acid?
The canonical SMILES for 3-amino-4-(5-ethyl-2-methoxy-N-methylanilino)butanoic acid is CCc1ccc(OC)c(N(C)CC(N)CC(=O)O)c1.
What is the InChIKey of 3-amino-4-(5-ethyl-2-methoxy-N-methylanilino)butanoic acid?
The InChIKey is RRMGLDUPJXYLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-10-5-6-13(19-3)12(7-10)16(2)9-11(15)8-14(17)18/h5-7,11H,4,8-9,15H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-4-(5-ethyl-2-methoxy-N-methylanilino)butanoic acid?
3-amino-4-(5-ethyl-2-methoxy-N-methylanilino)butanoic acid has a molecular weight of 266.34 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(5-ethyl-2-methoxy-N-methylanilino)butanoic acid is sourced from PubChem (CID 115241577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).