6-[[2-hydroxypropyl(methyl)carbamoyl]amino]-4,4-dimethylhexanoic acid

C13H26N2O4 — CID 65287485

IUPAC6-[[2-hydroxypropyl(methyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
SMILESCC(O)CN(C)C(=O)NCCC(C)(C)CCC(=O)O
InChIInChI=1S/C13H26N2O4/c1-10(16)9-15(4)12(19)14-8-7-13(2,3)6-5-11(17)18/h10,16H,5-9H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyDBUKCMRSKACKEO-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.29
Rot. Bonds8

About 6-[[2-hydroxypropyl(methyl)carbamoyl]amino]-4,4-dimethylhexanoic acid

6-[[2-hydroxypropyl(methyl)carbamoyl]amino]-4,4-dimethylhexanoic acid (PubChem CID 65287485) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-[[2-hydroxypropyl(methyl)carbamoyl]amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[[2-hydroxypropyl(methyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
PubChem CID65287485
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name6-[[2-hydroxypropyl(methyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
SMILESCC(O)CN(C)C(=O)NCCC(C)(C)CCC(=O)O
InChIInChI=1S/C13H26N2O4/c1-10(16)9-15(4)12(19)14-8-7-13(2,3)6-5-11(17)18/h10,16H,5-9H2,1-4H3,(H,14,19)(H,17,18)
InChIKeyDBUKCMRSKACKEO-UHFFFAOYSA-N
XLogP1.29
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-hydroxypropyl(methyl)carbamoyl]amino]butanoic acid
CID 62337963
4,4-dimethyl-6-[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]hexanoic acid
CID 65289121
6-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65289219
6-[[ethyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65290122
6-[[2-hydroxypropyl(methyl)carbamoyl]amino]hexanoic acid
CID 62338164
6-[[ethyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65289831
6-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287805
6-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287610
4,4-dimethyl-6-(propan-2-ylcarbamoylamino)hexanoic acid
CID 65284966
4,4-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 65284445
4,4-dimethyl-6-(propan-2-yloxycarbonylamino)hexanoic acid
CID 65285506
4,4-dimethyl-6-(3,4,4-trimethylpentanoylamino)hexanoic acid
CID 65284261

Frequently Asked Questions

What is the IUPAC name of 6-[[2-hydroxypropyl(methyl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[[2-hydroxypropyl(methyl)carbamoyl]amino]-4,4-dimethylhexanoic acid (CID 65287485) is 6-[[2-hydroxypropyl(methyl)carbamoyl]amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[[2-hydroxypropyl(methyl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[[2-hydroxypropyl(methyl)carbamoyl]amino]-4,4-dimethylhexanoic acid is CC(O)CN(C)C(=O)NCCC(C)(C)CCC(=O)O.
What is the InChIKey of 6-[[2-hydroxypropyl(methyl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
The InChIKey is DBUKCMRSKACKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-10(16)9-15(4)12(19)14-8-7-13(2,3)6-5-11(17)18/h10,16H,5-9H2,1-4H3,(H,14,19)(H,17,18).
What are the key properties of 6-[[2-hydroxypropyl(methyl)carbamoyl]amino]-4,4-dimethylhexanoic acid?
6-[[2-hydroxypropyl(methyl)carbamoyl]amino]-4,4-dimethylhexanoic acid has a molecular weight of 274.36 g/mol, XLogP of 1.29, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-hydroxypropyl(methyl)carbamoyl]amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65287485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).