4-[[2-(dimethylamino)-2-methylpropyl]amino]-2,3-dimethyl-4-oxobutanoic acid

C12H24N2O3 — CID 103496799

IUPAC4-[[2-(dimethylamino)-2-methylpropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)NCC(C)(C)N(C)C
InChIInChI=1S/C12H24N2O3/c1-8(9(2)11(16)17)10(15)13-7-12(3,4)14(5)6/h8-9H,7H2,1-6H3,(H,13,15)(H,16,17)
InChIKeyDYIOJMYASMRDLM-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.80
Rot. Bonds6

About 4-[[2-(dimethylamino)-2-methylpropyl]amino]-2,3-dimethyl-4-oxobutanoic acid

4-[[2-(dimethylamino)-2-methylpropyl]amino]-2,3-dimethyl-4-oxobutanoic acid (PubChem CID 103496799) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-2-methylpropyl]amino]-2,3-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-2-methylpropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
PubChem CID103496799
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-[[2-(dimethylamino)-2-methylpropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
SMILESCC(C(=O)O)C(C)C(=O)NCC(C)(C)N(C)C
InChIInChI=1S/C12H24N2O3/c1-8(9(2)11(16)17)10(15)13-7-12(3,4)14(5)6/h8-9H,7H2,1-6H3,(H,13,15)(H,16,17)
InChIKeyDYIOJMYASMRDLM-UHFFFAOYSA-N
XLogP0.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]propanamide
CID 61249640
N-[2-(dimethylamino)-2-methylpropyl]-2,2-difluoroacetamide
CID 103600685
N-[2-(dimethylamino)-2-methylpropyl]-2-sulfanylpropanamide
CID 107026862
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-methylbutanamide
CID 61250015
(2S)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119830610
2-cyclopentyl-N-[2-(dimethylamino)-2-methylpropyl]propanamide
CID 110353510
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-methylpropyl)urea
CID 110622595
4-(2-acetamidoethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496269
4-[[(2R)-2-hydroxypropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 107214713
(2R)-2-amino-N-[2-(dimethylamino)-2-methylpropyl]-3-phenylpropanamide
CID 78985535
4-(2-cyclopropylethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498677
N-[2-(dimethylamino)-2-methylpropyl]-2-(4-fluorophenyl)-3-methylbutanamide
CID 110312950

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-2-methylpropyl]amino]-2,3-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-[[2-(dimethylamino)-2-methylpropyl]amino]-2,3-dimethyl-4-oxobutanoic acid (CID 103496799) is 4-[[2-(dimethylamino)-2-methylpropyl]amino]-2,3-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-[[2-(dimethylamino)-2-methylpropyl]amino]-2,3-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-[[2-(dimethylamino)-2-methylpropyl]amino]-2,3-dimethyl-4-oxobutanoic acid is CC(C(=O)O)C(C)C(=O)NCC(C)(C)N(C)C.
What is the InChIKey of 4-[[2-(dimethylamino)-2-methylpropyl]amino]-2,3-dimethyl-4-oxobutanoic acid?
The InChIKey is DYIOJMYASMRDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(9(2)11(16)17)10(15)13-7-12(3,4)14(5)6/h8-9H,7H2,1-6H3,(H,13,15)(H,16,17).
What are the key properties of 4-[[2-(dimethylamino)-2-methylpropyl]amino]-2,3-dimethyl-4-oxobutanoic acid?
4-[[2-(dimethylamino)-2-methylpropyl]amino]-2,3-dimethyl-4-oxobutanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-2-methylpropyl]amino]-2,3-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 103496799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).