6-[[2-hydroxypropyl(methyl)carbamoyl]amino]hexanoic acid

C11H22N2O4 — CID 62338164

IUPAC6-[[2-hydroxypropyl(methyl)carbamoyl]amino]hexanoic acid
SMILESCC(O)CN(C)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C11H22N2O4/c1-9(14)8-13(2)11(17)12-7-5-3-4-6-10(15)16/h9,14H,3-8H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyDGRWHPILCZHPJY-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.65
Rot. Bonds8

About 6-[[2-hydroxypropyl(methyl)carbamoyl]amino]hexanoic acid

6-[[2-hydroxypropyl(methyl)carbamoyl]amino]hexanoic acid (PubChem CID 62338164) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-[[2-hydroxypropyl(methyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-hydroxypropyl(methyl)carbamoyl]amino]hexanoic acid
PubChem CID62338164
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name6-[[2-hydroxypropyl(methyl)carbamoyl]amino]hexanoic acid
SMILESCC(O)CN(C)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C11H22N2O4/c1-9(14)8-13(2)11(17)12-7-5-3-4-6-10(15)16/h9,14H,3-8H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyDGRWHPILCZHPJY-UHFFFAOYSA-N
XLogP0.65
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-hydroxypropyl(methyl)carbamoyl]amino]butanoic acid
CID 62337963
6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid
CID 61196248
6-[[3-hydroxybutyl(methyl)carbamoyl]amino]hexanoic acid
CID 113499758
6-[[2-hydroxypropyl(methyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287485
6-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]hexanoic acid
CID 55000606
7-[[2-cyanoethyl(methyl)carbamoyl]amino]heptanoic acid
CID 61183836
3-[methyl(octylcarbamoyl)amino]propanoic acid
CID 115569264
6-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]hexanoic acid
CID 63960493
6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid
CID 54946641
4-[methyl-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]amino]butanoic acid
CID 114139559
6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid
CID 82937405
4-[[methyl(propyl)carbamoyl]amino]butanoic acid
CID 61195680

Frequently Asked Questions

What is the IUPAC name of 6-[[2-hydroxypropyl(methyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-hydroxypropyl(methyl)carbamoyl]amino]hexanoic acid (CID 62338164) is 6-[[2-hydroxypropyl(methyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-hydroxypropyl(methyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-hydroxypropyl(methyl)carbamoyl]amino]hexanoic acid is CC(O)CN(C)C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[[2-hydroxypropyl(methyl)carbamoyl]amino]hexanoic acid?
The InChIKey is DGRWHPILCZHPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-9(14)8-13(2)11(17)12-7-5-3-4-6-10(15)16/h9,14H,3-8H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 6-[[2-hydroxypropyl(methyl)carbamoyl]amino]hexanoic acid?
6-[[2-hydroxypropyl(methyl)carbamoyl]amino]hexanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.65, 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]hexanoic acid is sourced from PubChem (CID 62338164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).