6-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]hexanoic acid

C14H28N2O3 — CID 55000606

IUPAC6-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]hexanoic acid
SMILESCC(C)CN(C(=O)NCCCCCC(=O)O)C(C)C
InChIInChI=1S/C14H28N2O3/c1-11(2)10-16(12(3)4)14(19)15-9-7-5-6-8-13(17)18/h11-12H,5-10H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyKALLDKBMXLMZIS-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.71
Rot. Bonds9

About 6-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]hexanoic acid

6-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]hexanoic acid (PubChem CID 55000606) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 6-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]hexanoic acid
PubChem CID55000606
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name6-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]hexanoic acid
SMILESCC(C)CN(C(=O)NCCCCCC(=O)O)C(C)C
InChIInChI=1S/C14H28N2O3/c1-11(2)10-16(12(3)4)14(19)15-9-7-5-6-8-13(17)18/h11-12H,5-10H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyKALLDKBMXLMZIS-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.71
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

6-[[methyl(2-methylpropyl)carbamoyl]amino]hexanoic acid
CID 61196248
6-[[2-hydroxypropyl(methyl)carbamoyl]amino]hexanoic acid
CID 62338164
5-[2-methylpropyl(propan-2-yl)amino]-5-oxopentanoic acid
CID 23588339
6-[2-[methyl(propan-2-yl)amino]ethylcarbamoylamino]hexanoic acid
CID 62636535
3-[6-acetamidohexanoyl(propan-2-yl)amino]propanoic acid
CID 60831935
4-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 55001169
4-[pent-4-ynylcarbamoyl(propan-2-yl)amino]butanoic acid
CID 106222810
4-[[2,2-dimethylpropyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 122022173
6-[[3-hydroxybutyl(methyl)carbamoyl]amino]hexanoic acid
CID 113499758
7-methyl-N-(7-methyloctyl)octan-1-amine;7-methyloctanoic acid
CID 172838661
3-[bis(2-methylpropyl)carbamoylamino]propanoic acid
CID 61378500
7-(2-methylbutanoylamino)heptanoic acid
CID 24690343

Frequently Asked Questions

What is the IUPAC name of 6-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]hexanoic acid?
The IUPAC name of 6-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]hexanoic acid (CID 55000606) is 6-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]hexanoic acid is CC(C)CN(C(=O)NCCCCCC(=O)O)C(C)C.
What is the InChIKey of 6-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]hexanoic acid?
The InChIKey is KALLDKBMXLMZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(2)10-16(12(3)4)14(19)15-9-7-5-6-8-13(17)18/h11-12H,5-10H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 6-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]hexanoic acid?
6-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]hexanoic acid has a molecular weight of 272.39 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-methylpropyl(propan-2-yl)carbamoyl]amino]hexanoic acid is sourced from PubChem (CID 55000606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).