5,5-dimethyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]hexanoic acid

C12H23N3O4 — CID 113496880

IUPAC5,5-dimethyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]hexanoic acid
SMILESCNC(=O)CNC(=O)NC(CC(=O)O)CC(C)(C)C
InChIInChI=1S/C12H23N3O4/c1-12(2,3)6-8(5-10(17)18)15-11(19)14-7-9(16)13-4/h8H,5-7H2,1-4H3,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyGAYMOZRPJPPPNQ-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.31
Rot. Bonds6

About 5,5-dimethyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]hexanoic acid

5,5-dimethyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]hexanoic acid (PubChem CID 113496880) has the molecular formula C12H23N3O4 and a molecular weight of 273.33 g/mol. Its IUPAC name is 5,5-dimethyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name5,5-dimethyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]hexanoic acid
PubChem CID113496880
Molecular FormulaC12H23N3O4
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name5,5-dimethyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]hexanoic acid
SMILESCNC(=O)CNC(=O)NC(CC(=O)O)CC(C)(C)C
InChIInChI=1S/C12H23N3O4/c1-12(2,3)6-8(5-10(17)18)15-11(19)14-7-9(16)13-4/h8H,5-7H2,1-4H3,(H,13,16)(H,17,18)(H2,14,15,19)
InChIKeyGAYMOZRPJPPPNQ-UHFFFAOYSA-N
XLogP0.31
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3,3-dimethyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]butanoic acid
CID 61197432
3-[(5-amino-5-oxopentyl)carbamoylamino]-5,5-dimethylhexanoic acid
CID 106239160
3-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]butanoic acid
CID 64702407
N-methyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetamide
CID 144980882
5,5-dimethyl-3-[(2-methylcyclopropyl)carbamoylamino]hexanoic acid
CID 113496888
(2R)-3-hydroxy-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 80756456
4-amino-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid
CID 61197619
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-5,5-dimethylhexanoic acid
CID 104867277
3-[(2-methoxy-2-methylpropanoyl)amino]-5,5-dimethylhexanoic acid
CID 103019288
3-methoxy-4-[[2-(methylamino)-2-oxoethyl]carbamoylamino]butanoic acid
CID 103158580
3-[(3,3-dimethylcyclopentyl)carbamoylamino]-5,5-dimethylhexanoic acid
CID 114549080
3-(4-methoxybutanoylamino)-5,5-dimethylhexanoic acid
CID 113496760

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]hexanoic acid?
The IUPAC name of 5,5-dimethyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]hexanoic acid (CID 113496880) is 5,5-dimethyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]hexanoic acid.
What is the SMILES notation for 5,5-dimethyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]hexanoic acid?
The canonical SMILES for 5,5-dimethyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]hexanoic acid is CNC(=O)CNC(=O)NC(CC(=O)O)CC(C)(C)C.
What is the InChIKey of 5,5-dimethyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]hexanoic acid?
The InChIKey is GAYMOZRPJPPPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4/c1-12(2,3)6-8(5-10(17)18)15-11(19)14-7-9(16)13-4/h8H,5-7H2,1-4H3,(H,13,16)(H,17,18)(H2,14,15,19).
What are the key properties of 5,5-dimethyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]hexanoic acid?
5,5-dimethyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]hexanoic acid has a molecular weight of 273.33 g/mol, XLogP of 0.31, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]hexanoic acid is sourced from PubChem (CID 113496880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).