2-(aminomethyl)-2-ethyl-4-methoxybutanoic acid

C8H17NO3 — CID 106487407

IUPAC2-(aminomethyl)-2-ethyl-4-methoxybutanoic acid
SMILESCCC(CN)(CCOC)C(=O)O
InChIInChI=1S/C8H17NO3/c1-3-8(6-9,7(10)11)4-5-12-2/h3-6,9H2,1-2H3,(H,10,11)
InChIKeyCFMIRGCWPULJAZ-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.46
Rot. Bonds6

About 2-(aminomethyl)-2-ethyl-4-methoxybutanoic acid

2-(aminomethyl)-2-ethyl-4-methoxybutanoic acid (PubChem CID 106487407) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-4-methoxybutanoic acid
PubChem CID106487407
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-(aminomethyl)-2-ethyl-4-methoxybutanoic acid
SMILESCCC(CN)(CCOC)C(=O)O
InChIInChI=1S/C8H17NO3/c1-3-8(6-9,7(10)11)4-5-12-2/h3-6,9H2,1-2H3,(H,10,11)
InChIKeyCFMIRGCWPULJAZ-UHFFFAOYSA-N
XLogP0.46
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(aminomethyl)-2-ethyl-4-[2-(2-methoxyethoxy)ethoxy]butanoate
CID 106487669
2-(aminomethyl)-2-ethyl-4-ethylsulfonylbutanoic acid
CID 106487495
2-(aminomethyl)-2-ethyl-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 106487383
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(aminomethyl)-2-ethylbutanoate
CID 104563189
2-(aminomethyl)-2-ethyl-4-propylsulfonylbutanoic acid
CID 106737054
2-fluoro-2-(2-methoxyethyl)propanedioic acid
CID 122239756
2-cyanoethyl 2-(aminomethyl)-4-methoxy-2-(2-methoxyethyl)butanoate
CID 150676508
2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-[[2-carboxy-2-(methoxymethyl)butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]butyl]peroxymethyl]-2-(methoxymethyl)butanoic acid
CID 162457918
2-amino-4-methoxy-2-methylbutanoic acid
CID 18323200
2-(aminomethyl)-2-ethyl-N-[2-(2-methoxyethylamino)-2-oxoethyl]butanamide
CID 112703692
azane;2,2-diethylbutanoic acid
CID 173369262
2,2-diethyl-4-(2-methoxyethylamino)-4-oxobutanoic acid
CID 43529310

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-4-methoxybutanoic acid?
The IUPAC name of 2-(aminomethyl)-2-ethyl-4-methoxybutanoic acid (CID 106487407) is 2-(aminomethyl)-2-ethyl-4-methoxybutanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-4-methoxybutanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-4-methoxybutanoic acid is CCC(CN)(CCOC)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-4-methoxybutanoic acid?
The InChIKey is CFMIRGCWPULJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-3-8(6-9,7(10)11)4-5-12-2/h3-6,9H2,1-2H3,(H,10,11).
What are the key properties of 2-(aminomethyl)-2-ethyl-4-methoxybutanoic acid?
2-(aminomethyl)-2-ethyl-4-methoxybutanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-4-methoxybutanoic acid is sourced from PubChem (CID 106487407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).