6-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-4,4-dimethylhexanoic acid

C14H27N3O4 — CID 65287278

IUPAC6-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-4,4-dimethylhexanoic acid
SMILESCN(C)C(=O)CCNC(=O)NCCC(C)(C)CCC(=O)O
InChIInChI=1S/C14H27N3O4/c1-14(2,7-5-12(19)20)8-10-16-13(21)15-9-6-11(18)17(3)4/h5-10H2,1-4H3,(H,19,20)(H2,15,16,21)
InChIKeyVMNHKFXCPGHNNZ-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.04
Rot. Bonds9

About 6-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-4,4-dimethylhexanoic acid

6-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-4,4-dimethylhexanoic acid (PubChem CID 65287278) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-4,4-dimethylhexanoic acid
PubChem CID65287278
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name6-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-4,4-dimethylhexanoic acid
SMILESCN(C)C(=O)CCNC(=O)NCCC(C)(C)CCC(=O)O
InChIInChI=1S/C14H27N3O4/c1-14(2,7-5-12(19)20)8-10-16-13(21)15-9-6-11(18)17(3)4/h5-10H2,1-4H3,(H,19,20)(H2,15,16,21)
InChIKeyVMNHKFXCPGHNNZ-UHFFFAOYSA-N
XLogP1.04
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-4,4-dimethylhexanoic acid with MolForge

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Related Compounds

4,4-dimethyl-6-[[3-(methylamino)-3-oxopropyl]carbamoylamino]hexanoic acid
CID 65287428
4,4-dimethyl-6-(prop-2-ynylcarbamoylamino)hexanoic acid
CID 65285527
4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid
CID 65284966
4,4-dimethyl-6-(2,3,3-trimethylbutylcarbamoylamino)hexanoic acid
CID 83142689
4,4-dimethyl-6-[[2-oxo-2-(propylamino)ethyl]carbamoylamino]hexanoic acid
CID 65290131
4,4-dimethyl-6-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]hexanoic acid
CID 65289121
4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
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)propanoylamino]-4,4-dimethylhexanoic acid
CID 65286127
6-[[2-hydroxypropyl(methyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287485
6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65289219

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-4,4-dimethylhexanoic acid (CID 65287278) is 6-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-4,4-dimethylhexanoic acid is CN(C)C(=O)CCNC(=O)NCCC(C)(C)CCC(=O)O.
What is the InChIKey of 6-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-4,4-dimethylhexanoic acid?
The InChIKey is VMNHKFXCPGHNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-14(2,7-5-12(19)20)8-10-16-13(21)15-9-6-11(18)17(3)4/h5-10H2,1-4H3,(H,19,20)(H2,15,16,21).
What are the key properties of 6-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-4,4-dimethylhexanoic acid?
6-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-4,4-dimethylhexanoic acid has a molecular weight of 301.39 g/mol, XLogP of 1.04, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65287278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).