2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid

C11H20N2O4 — CID 106914932

IUPAC2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
SMILESCNC(=O)CCN(C)C(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(8(2)11(16)17)10(15)13(4)6-5-9(14)12-3/h7-8H,5-6H2,1-4H3,(H,12,14)(H,16,17)
InChIKeyCILVAQNTYALXHS-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.06
Rot. Bonds6

About 2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid

2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid (PubChem CID 106914932) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
PubChem CID106914932
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
SMILESCNC(=O)CCN(C)C(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(8(2)11(16)17)10(15)13(4)6-5-9(14)12-3/h7-8H,5-6H2,1-4H3,(H,12,14)(H,16,17)
InChIKeyCILVAQNTYALXHS-UHFFFAOYSA-N
XLogP-0.06
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N,3-dimethyl-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 103810328
3-methyl-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916209
4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497960
4-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 106813309
4-[5-hydroxypentyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 107198553
2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]hexanamide
CID 103832738
2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]pent-4-enamide
CID 106915272
2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-methylsulfonylbutanamide
CID 103827599
3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916227
(2R)-2-[[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]amino]hexanedioic acid
CID 107841529
2-bromo-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]propanamide
CID 106915052
3-[2-hydroxypropyl(propan-2-yl)amino]-N-methylpropanamide
CID 111107973

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid?
The IUPAC name of 2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid (CID 106914932) is 2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid is CNC(=O)CCN(C)C(=O)C(C)C(C)C(=O)O.
What is the InChIKey of 2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid?
The InChIKey is CILVAQNTYALXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(8(2)11(16)17)10(15)13(4)6-5-9(14)12-3/h7-8H,5-6H2,1-4H3,(H,12,14)(H,16,17).
What are the key properties of 2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid?
2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[methyl-[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 106914932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).