4,4-dimethyl-6-[[3-(methylamino)-3-oxopropyl]carbamoylamino]hexanoic acid

C13H25N3O4 — CID 65287428

IUPAC4,4-dimethyl-6-[[3-(methylamino)-3-oxopropyl]carbamoylamino]hexanoic acid
SMILESCNC(=O)CCNC(=O)NCCC(C)(C)CCC(=O)O
InChIInChI=1S/C13H25N3O4/c1-13(2,6-4-11(18)19)7-9-16-12(20)15-8-5-10(17)14-3/h4-9H2,1-3H3,(H,14,17)(H,18,19)(H2,15,16,20)
InChIKeyWPCZKYJBWHPDQY-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.70
Rot. Bonds9

About 4,4-dimethyl-6-[[3-(methylamino)-3-oxopropyl]carbamoylamino]hexanoic acid

4,4-dimethyl-6-[[3-(methylamino)-3-oxopropyl]carbamoylamino]hexanoic acid (PubChem CID 65287428) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4,4-dimethyl-6-[[3-(methylamino)-3-oxopropyl]carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-[[3-(methylamino)-3-oxopropyl]carbamoylamino]hexanoic acid
PubChem CID65287428
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name4,4-dimethyl-6-[[3-(methylamino)-3-oxopropyl]carbamoylamino]hexanoic acid
SMILESCNC(=O)CCNC(=O)NCCC(C)(C)CCC(=O)O
InChIInChI=1S/C13H25N3O4/c1-13(2,6-4-11(18)19)7-9-16-12(20)15-8-5-10(17)14-3/h4-9H2,1-3H3,(H,14,17)(H,18,19)(H2,15,16,20)
InChIKeyWPCZKYJBWHPDQY-UHFFFAOYSA-N
XLogP0.70
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-4,4-dimethylhexanoic acid
CID 65287278
4,4-dimethyl-6-(prop-2-ynylcarbamoylamino)hexanoic acid
CID 65285527
4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid
CID 65290131
4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid
CID 65284966
4,4-dimethyl-6-(2,3,3-trimethylbutylcarbamoylamino)hexanoic acid
CID 83142689
6-[3-(ethylamino)propanoylamino]-4,4-dimethylhexanoic acid
CID 65286127
6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid
CID 79257053
6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 65285788
4,4-dimethyl-6-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]hexanoic acid
CID 65288816
4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 65284445
6-[[3-(ethylamino)-3-oxopropyl]amino]-4,4-dimethylhexanoic acid
CID 65287716

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-[[3-(methylamino)-3-oxopropyl]carbamoylamino]hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-[[3-(methylamino)-3-oxopropyl]carbamoylamino]hexanoic acid (CID 65287428) is 4,4-dimethyl-6-[[3-(methylamino)-3-oxopropyl]carbamoylamino]hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-[[3-(methylamino)-3-oxopropyl]carbamoylamino]hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-[[3-(methylamino)-3-oxopropyl]carbamoylamino]hexanoic acid is CNC(=O)CCNC(=O)NCCC(C)(C)CCC(=O)O.
What is the InChIKey of 4,4-dimethyl-6-[[3-(methylamino)-3-oxopropyl]carbamoylamino]hexanoic acid?
The InChIKey is WPCZKYJBWHPDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-13(2,6-4-11(18)19)7-9-16-12(20)15-8-5-10(17)14-3/h4-9H2,1-3H3,(H,14,17)(H,18,19)(H2,15,16,20).
What are the key properties of 4,4-dimethyl-6-[[3-(methylamino)-3-oxopropyl]carbamoylamino]hexanoic acid?
4,4-dimethyl-6-[[3-(methylamino)-3-oxopropyl]carbamoylamino]hexanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.70, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-[[3-(methylamino)-3-oxopropyl]carbamoylamino]hexanoic acid is sourced from PubChem (CID 65287428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).