4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid

C14H27N3O4 — CID 65290131

IUPAC4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid
SMILESCCCNC(=O)CNC(=O)NCCC(C)(C)CCC(=O)O
InChIInChI=1S/C14H27N3O4/c1-4-8-15-11(18)10-17-13(21)16-9-7-14(2,3)6-5-12(19)20/h4-10H2,1-3H3,(H,15,18)(H,19,20)(H2,16,17,21)
InChIKeyDUEQKSLEANZBMJ-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.09
Rot. Bonds10

About 4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid

4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid (PubChem CID 65290131) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid
PubChem CID65290131
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid
SMILESCCCNC(=O)CNC(=O)NCCC(C)(C)CCC(=O)O
InChIInChI=1S/C14H27N3O4/c1-4-8-15-11(18)10-17-13(21)16-9-7-14(2,3)6-5-12(19)20/h4-10H2,1-3H3,(H,15,18)(H,19,20)(H2,16,17,21)
InChIKeyDUEQKSLEANZBMJ-UHFFFAOYSA-N
XLogP1.09
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
N-propyl-2-(propylcarbamoylamino)acetamide
CID 115571904
4,4-dimethyl-6-[[3-(methylamino)-3-oxopropyl]carbamoylamino]hexanoic acid
CID 65287428
6-[[2-(tert-butylamino)acetyl]amino]-4,4-dimethylhexanoic acid
CID 79257053
6-[3-(ethylamino)propanoylamino]-4,4-dimethylhexanoic acid
CID 65286127
7-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]heptanoic acid
CID 61202867
4,4-dimethyl-6-(prop-2-ynylcarbamoylamino)hexanoic acid
CID 65285527
4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid
CID 65287517
6-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-4,4-dimethylhexanoic acid
CID 65287278
3-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-N-propylpropanamide
CID 87037238
4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid
CID 65284966
6-[(3-amino-3-methylbutanoyl)amino]-4,4-dimethylhexanoic acid
CID 65285788

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid (CID 65290131) is 4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid is CCCNC(=O)CNC(=O)NCCC(C)(C)CCC(=O)O.
What is the InChIKey of 4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid?
The InChIKey is DUEQKSLEANZBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-4-8-15-11(18)10-17-13(21)16-9-7-14(2,3)6-5-12(19)20/h4-10H2,1-3H3,(H,15,18)(H,19,20)(H2,16,17,21).
What are the key properties of 4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid?
4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid has a molecular weight of 301.39 g/mol, XLogP of 1.09, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid is sourced from PubChem (CID 65290131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).