4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid

C12H24N2O3 — CID 65284966

IUPAC4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid
SMILESCC(C)NC(=O)NCCC(C)(C)CCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-9(2)14-11(17)13-8-7-12(3,4)6-5-10(15)16/h9H,5-8H2,1-4H3,(H,15,16)(H2,13,14,17)
InChIKeyOGLMLDXTQZUDLG-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.98
Rot. Bonds7

About 4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid

4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid (PubChem CID 65284966) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid
PubChem CID65284966
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid
SMILESCC(C)NC(=O)NCCC(C)(C)CCC(=O)O
InChIInChI=1S/C12H24N2O3/c1-9(2)14-11(17)13-8-7-12(3,4)6-5-10(15)16/h9H,5-8H2,1-4H3,(H,15,16)(H2,13,14,17)
InChIKeyOGLMLDXTQZUDLG-UHFFFAOYSA-N
XLogP1.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-6-(2,3,3-trimethylbutylcarbamoylamino)hexanoic acid
CID 83142689
4,4-dimethyl-6-(propanoylamino)hexanoic acid
CID 65284298
4,4-dimethyl-6-[[3-(methylamino)-3-oxopropyl]carbamoylamino]hexanoic acid
CID 65287428
4,4-dimethyl-6-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]hexanoic acid
CID 65288816
4,4-dimethyl-6-(prop-2-ynylcarbamoylamino)hexanoic acid
CID 65285527
4,4-dimethyl-6-(propan-2-yloxycarbonylamino)hexanoic acid
CID 65285506
4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid
CID 65284261
6-[[3-(dimethylamino)-3-oxopropyl]carbamoylamino]-4,4-dimethylhexanoic acid
CID 65287278
6-(2-cyclopropylpropanoylamino)-4,4-dimethylhexanoic acid
CID 83147001
4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 65284445
6-[3-(ethylamino)propanoylamino]-4,4-dimethylhexanoic acid
CID 65286127
6-[[ethyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65289831

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid (CID 65284966) is 4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid is CC(C)NC(=O)NCCC(C)(C)CCC(=O)O.
What is the InChIKey of 4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid?
The InChIKey is OGLMLDXTQZUDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(2)14-11(17)13-8-7-12(3,4)6-5-10(15)16/h9H,5-8H2,1-4H3,(H,15,16)(H2,13,14,17).
What are the key properties of 4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid?
4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.98, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 65284966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).