4-[ethyl(propan-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid

C11H21NO3 — CID 103495906

IUPAC4-[ethyl(propan-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCCN(C(=O)C(C)C(C)C(=O)O)C(C)C
InChIInChI=1S/C11H21NO3/c1-6-12(7(2)3)10(13)8(4)9(5)11(14)15/h7-9H,6H2,1-5H3,(H,14,15)
InChIKeyWUXRONOAADQRFJ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.60
Rot. Bonds5

About 4-[ethyl(propan-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid

4-[ethyl(propan-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103495906) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-[ethyl(propan-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[ethyl(propan-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103495906
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-[ethyl(propan-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCCN(C(=O)C(C)C(C)C(=O)O)C(C)C
InChIInChI=1S/C11H21NO3/c1-6-12(7(2)3)10(13)8(4)9(5)11(14)15/h7-9H,6H2,1-5H3,(H,14,15)
InChIKeyWUXRONOAADQRFJ-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[butan-2-yl(ethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103495920
N-ethyl-2-methyl-N-propan-2-ylpropanamide
CID 157175110
(2S)-2-amino-N-ethyl-N-propan-2-ylpropanamide
CID 61145665
2,3-dimethyl-4-[methyl(propan-2-yl)amino]-4-oxobutanoic acid
CID 103495830
2-amino-N-ethyl-3-methyl-N-propan-2-ylbutanamide
CID 43265863
4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499014
(2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 61196762
4-(dipentylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497775
2,3-dimethyl-4-[methyl(2-methylbutyl)amino]-4-oxobutanoic acid
CID 103495923
(2R)-2-amino-N-ethyl-2-phenyl-N-propan-2-ylacetamide
CID 61156565
3-[ethyl-[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853195
(2S)-2-(diethylamino)propanoic acid
CID 18664197

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(propan-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[ethyl(propan-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid (CID 103495906) is 4-[ethyl(propan-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[ethyl(propan-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[ethyl(propan-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid is CCN(C(=O)C(C)C(C)C(=O)O)C(C)C.
What is the InChIKey of 4-[ethyl(propan-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is WUXRONOAADQRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-6-12(7(2)3)10(13)8(4)9(5)11(14)15/h7-9H,6H2,1-5H3,(H,14,15).
What are the key properties of 4-[ethyl(propan-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid?
4-[ethyl(propan-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(propan-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103495906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).