6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid

C12H24N2O4 — CID 54946641

IUPAC6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid
SMILESCOCC(C)N(C)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C12H24N2O4/c1-10(9-18-3)14(2)12(17)13-8-6-4-5-7-11(15)16/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyGNWJLNBWHINUHL-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.31
Rot. Bonds9

About 6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid

6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid (PubChem CID 54946641) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid
PubChem CID54946641
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid
SMILESCOCC(C)N(C)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C12H24N2O4/c1-10(9-18-3)14(2)12(17)13-8-6-4-5-7-11(15)16/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyGNWJLNBWHINUHL-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]-6-oxohexanoic acid
CID 61452796
4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid
CID 104553040
5-[1-methoxypropan-2-yl(methyl)amino]-5-oxopentanoic acid
CID 60949459
6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid
CID 61196248
6-[[2-hydroxypropyl(methyl)carbamoyl]amino]hexanoic acid
CID 62338164
3-methoxy-4-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]butanoic acid
CID 103158828
4-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]butanoic acid
CID 63228312
2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
CID 61452729
5-[(2-amino-3-methoxypropanoyl)amino]pentanoic acid
CID 81088250
6-(3-methoxypropylcarbamoylamino)hexanoic acid
CID 61196708
7-(2-methylbutanoylamino)heptanoic acid
CID 24690343
5-(2-methoxypropanoylamino)pentanoic acid
CID 115731347

Frequently Asked Questions

What is the IUPAC name of 6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid (CID 54946641) is 6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid is COCC(C)N(C)C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid?
The InChIKey is GNWJLNBWHINUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-10(9-18-3)14(2)12(17)13-8-6-4-5-7-11(15)16/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid?
6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 54946641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).