4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanoic acid

C13H27NO3 — CID 65247850

IUPAC4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanoic acid
SMILESCCC(C)N(CCOC)CCC(C)(C)C(=O)O
InChIInChI=1S/C13H27NO3/c1-6-11(2)14(9-10-17-5)8-7-13(3,4)12(15)16/h11H,6-10H2,1-5H3,(H,15,16)
InChIKeyJQDYZSOTGLXBKX-UHFFFAOYSA-N
MW245.36 g/mol
LogP2.23
Rot. Bonds9

About 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanoic acid

4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanoic acid (PubChem CID 65247850) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanoic acid
PubChem CID65247850
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanoic acid
SMILESCCC(C)N(CCOC)CCC(C)(C)C(=O)O
InChIInChI=1S/C13H27NO3/c1-6-11(2)14(9-10-17-5)8-7-13(3,4)12(15)16/h11H,6-10H2,1-5H3,(H,15,16)
InChIKeyJQDYZSOTGLXBKX-UHFFFAOYSA-N
XLogP2.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanethioamide
CID 65249083
2-amino-4-[bis(2-methoxyethyl)amino]-2-methylpentanoic acid
CID 64709529
3-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one
CID 63193802
6-[butan-2-yl(2-methoxyethyl)amino]hexan-3-one
CID 106801251
5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid
CID 65254735
2-amino-4-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-2-methylbutan-1-ol
CID 64827580
5-[butan-2-yl(2-methoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64828176
2-[2-methoxyethyl(pentan-3-yl)amino]-2-methylpropanoic acid
CID 114996787
4-[butan-2-yl(2-methoxyethyl)amino]-2-methylbut-2-enoic acid
CID 77074741
ethyl 2-amino-4-[butan-2-yl(2-methoxyethyl)amino]butanoate
CID 63055186
(2S)-1-[butan-2-yl(2-methoxyethyl)amino]propan-2-ol
CID 103935046
4-[butan-2-yl(2-methoxyethyl)amino]-2-(propylamino)butanoic acid
CID 63054650

Frequently Asked Questions

What is the IUPAC name of 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanoic acid?
The IUPAC name of 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanoic acid (CID 65247850) is 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanoic acid is CCC(C)N(CCOC)CCC(C)(C)C(=O)O.
What is the InChIKey of 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanoic acid?
The InChIKey is JQDYZSOTGLXBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-6-11(2)14(9-10-17-5)8-7-13(3,4)12(15)16/h11H,6-10H2,1-5H3,(H,15,16).
What are the key properties of 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanoic acid?
4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanoic acid has a molecular weight of 245.36 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylbutanoic acid is sourced from PubChem (CID 65247850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).