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

C13H26N2O3 — CID 63960493

IUPAC6-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]hexanoic acid
SMILESCCC(C)(C)N(C)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C13H26N2O3/c1-5-13(2,3)15(4)12(18)14-10-8-6-7-9-11(16)17/h5-10H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyBKSAPXFVGMIJJR-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.46
Rot. Bonds8

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

6-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]hexanoic acid (PubChem CID 63960493) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 6-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]hexanoic acid
PubChem CID63960493
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name6-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]hexanoic acid
SMILESCCC(C)(C)N(C)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C13H26N2O3/c1-5-13(2,3)15(4)12(18)14-10-8-6-7-9-11(16)17/h5-10H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyBKSAPXFVGMIJJR-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 63959613
6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid
CID 61196248
6-[[2-hydroxypropyl(methyl)carbamoyl]amino]hexanoic acid
CID 62338164
6-(dipropylcarbamoylamino)hexanoic acid
CID 61181306
3-[methyl(octylcarbamoyl)amino]propanoic acid
CID 115569264
6-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]hexanoic acid
CID 55000606
7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid
CID 61207638
6-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]hexanoic acid
CID 54946641
4-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]butanoic acid
CID 79379882
7-[[2-hydroxyethyl(propyl)carbamoyl]amino]heptanoic acid
CID 61425538
7-(butylcarbamoylamino)heptanoic acid
CID 28786256
ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid
CID 156732103

Frequently Asked Questions

What is the IUPAC name of 6-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 6-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]hexanoic acid (CID 63960493) is 6-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 6-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]hexanoic acid is CCC(C)(C)N(C)C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]hexanoic acid?
The InChIKey is BKSAPXFVGMIJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-13(2,3)15(4)12(18)14-10-8-6-7-9-11(16)17/h5-10H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 6-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]hexanoic acid?
6-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]hexanoic acid has a molecular weight of 258.36 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 63960493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).