2-[bis(2-methoxyethyl)amino]-2-ethylbutanoic acid

C12H25NO4 — CID 114989592

IUPAC2-[bis(2-methoxyethyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(C(=O)O)N(CCOC)CCOC
InChIInChI=1S/C12H25NO4/c1-5-12(6-2,11(14)15)13(7-9-16-3)8-10-17-4/h5-10H2,1-4H3,(H,14,15)
InChIKeyKNVFIFPYKBTYEA-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.22
Rot. Bonds10

About 2-[bis(2-methoxyethyl)amino]-2-ethylbutanoic acid

2-[bis(2-methoxyethyl)amino]-2-ethylbutanoic acid (PubChem CID 114989592) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)amino]-2-ethylbutanoic acid
PubChem CID114989592
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Name2-[bis(2-methoxyethyl)amino]-2-ethylbutanoic acid
SMILESCCC(CC)(C(=O)O)N(CCOC)CCOC
InChIInChI=1S/C12H25NO4/c1-5-12(6-2,11(14)15)13(7-9-16-3)8-10-17-4/h5-10H2,1-4H3,(H,14,15)
InChIKeyKNVFIFPYKBTYEA-UHFFFAOYSA-N
XLogP1.22
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl(2-methylpropyl)amino]-2-methylbutanoic acid
CID 114996785
2-[2-methoxyethyl(pentan-3-yl)amino]-2-methylpropanoic acid
CID 114996787
2-[[ethyl(2-methoxyethyl)amino]methyl]-2-methylbutanoic acid
CID 62271797
2-amino-4-[bis(2-methoxyethyl)amino]-2-methylpentanoic acid
CID 64709529
2-[bis(2-methoxyethyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62820777
acetic acid;2-methoxy-N,N-dimethylethanamine
CID 173078438
2-[ethyl(propyl)amino]-4-methoxy-2-methylbutanoic acid
CID 114999200
2-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801985
2-[ethyl-[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62820097
4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanoic acid
CID 65247850
3-amino-1-[tert-butyl(2-methoxyethyl)amino]-3-methylbutan-2-one
CID 145438792
2-[tert-butyl-[2-(2-methoxyethoxy)ethyl]amino]acetic acid
CID 79268852

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[bis(2-methoxyethyl)amino]-2-ethylbutanoic acid (CID 114989592) is 2-[bis(2-methoxyethyl)amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[bis(2-methoxyethyl)amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[bis(2-methoxyethyl)amino]-2-ethylbutanoic acid is CCC(CC)(C(=O)O)N(CCOC)CCOC.
What is the InChIKey of 2-[bis(2-methoxyethyl)amino]-2-ethylbutanoic acid?
The InChIKey is KNVFIFPYKBTYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4/c1-5-12(6-2,11(14)15)13(7-9-16-3)8-10-17-4/h5-10H2,1-4H3,(H,14,15).
What are the key properties of 2-[bis(2-methoxyethyl)amino]-2-ethylbutanoic acid?
2-[bis(2-methoxyethyl)amino]-2-ethylbutanoic acid has a molecular weight of 247.33 g/mol, XLogP of 1.22, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)amino]-2-ethylbutanoic acid is sourced from PubChem (CID 114989592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).