4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid

C12H22N2O4 — CID 103499411

IUPAC4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCCN(C)C(=O)C(C)NC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-6-14(5)11(16)9(4)13-10(15)7(2)8(3)12(17)18/h7-9H,6H2,1-5H3,(H,13,15)(H,17,18)
InChIKeyRAMYVZZZPRBPSD-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.33
Rot. Bonds6

About 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid

4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103499411) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103499411
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCCN(C)C(=O)C(C)NC(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-6-14(5)11(16)9(4)13-10(15)7(2)8(3)12(17)18/h7-9H,6H2,1-5H3,(H,13,15)(H,17,18)
InChIKeyRAMYVZZZPRBPSD-UHFFFAOYSA-N
XLogP0.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid with MolForge

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Related Compounds

4-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid;molecular iodine
CID 159697138
(2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide
CID 103109126
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2-methyl-3-phenylpropanamide
CID 103109133
4-(1-carboxyethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498098
(2S)-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]butanoic acid
CID 103112496
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]butanedioic acid
CID 103112551
(2R)-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]butanedioic acid
CID 103112614
3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid
CID 103112618
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-3,3-dimethylbutanoic acid
CID 103112692
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-hydroxybutanoic acid
CID 103112573
N-ethyl-N-methyl-2-(propan-2-ylamino)propanamide
CID 103107904
4-amino-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]-4-oxobutanoic acid
CID 103112595

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid (CID 103499411) is 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid is CCN(C)C(=O)C(C)NC(=O)C(C)C(C)C(=O)O.
What is the InChIKey of 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is RAMYVZZZPRBPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-6-14(5)11(16)9(4)13-10(15)7(2)8(3)12(17)18/h7-9H,6H2,1-5H3,(H,13,15)(H,17,18).
What are the key properties of 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid?
4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103499411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).