4-[ethyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid

C11H21NO3 — CID 65297807

IUPAC4-[ethyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCCN(CC)C(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-5-7-12(6-2)9(13)8-11(3,4)10(14)15/h5-8H2,1-4H3,(H,14,15)
InChIKeyCCDTWVGFJWTUKQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.75
Rot. Bonds6

About 4-[ethyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid

4-[ethyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65297807) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-[ethyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[ethyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65297807
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-[ethyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid
SMILESCCCN(CC)C(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-5-7-12(6-2)9(13)8-11(3,4)10(14)15/h5-8H2,1-4H3,(H,14,15)
InChIKeyCCDTWVGFJWTUKQ-UHFFFAOYSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[bis(2-hydroxyethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302623
4-[benzyl(ethyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65297707
4-[butyl(ethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 43437509
5-[2-(dimethylamino)ethyl-propylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933573
5-[ethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933567
3-[[ethyl(propyl)carbamoyl]amino]-2,2,3-trimethylbutanoic acid
CID 65266331
N-ethyl-N-propyl-3-sulfanylpropanamide
CID 107022413
4-[3-(dimethylamino)propyl-methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 65299719
3,3-dimethyl-N-(2-methylpropyl)-N-propylbutanamide
CID 18736157
4-[methoxy(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302588
4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 61042046
2,2-dimethylbutanedioic acid;hydrochloride
CID 87625816

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[ethyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid (CID 65297807) is 4-[ethyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[ethyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[ethyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid is CCCN(CC)C(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 4-[ethyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is CCDTWVGFJWTUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-7-12(6-2)9(13)8-11(3,4)10(14)15/h5-8H2,1-4H3,(H,14,15).
What are the key properties of 4-[ethyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid?
4-[ethyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65297807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).