6-[2-[(2-cyclohexylacetyl)amino]propanoylamino]hexanoic acid

C17H30N2O4 — CID 119219690

IUPAC6-[2-[(2-cyclohexylacetyl)amino]propanoylamino]hexanoic acid
SMILESCC(NC(=O)CC1CCCCC1)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C17H30N2O4/c1-13(17(23)18-11-7-3-6-10-16(21)22)19-15(20)12-14-8-4-2-5-9-14/h13-14H,2-12H2,1H3,(H,18,23)(H,19,20)(H,21,22)
InChIKeyWOBADBJDWBYTDS-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.22
Rot. Bonds10

About 6-[2-[(2-cyclohexylacetyl)amino]propanoylamino]hexanoic acid

6-[2-[(2-cyclohexylacetyl)amino]propanoylamino]hexanoic acid (PubChem CID 119219690) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is 6-[2-[(2-cyclohexylacetyl)amino]propanoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[2-[(2-cyclohexylacetyl)amino]propanoylamino]hexanoic acid
PubChem CID119219690
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Name6-[2-[(2-cyclohexylacetyl)amino]propanoylamino]hexanoic acid
SMILESCC(NC(=O)CC1CCCCC1)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C17H30N2O4/c1-13(17(23)18-11-7-3-6-10-16(21)22)19-15(20)12-14-8-4-2-5-9-14/h13-14H,2-12H2,1H3,(H,18,23)(H,19,20)(H,21,22)
InChIKeyWOBADBJDWBYTDS-UHFFFAOYSA-N
XLogP2.22
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.22
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

N-(3-aminobutyl)-2-[(2-cyclohexylacetyl)amino]propanamide
CID 119499014
2-[(2-cyclohexylacetyl)amino]-N-[1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 51103870
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
(2R)-2-[(2-cyclohexylacetyl)amino]-N-[3-[2-methoxyethyl(methyl)amino]propyl]propanamide
CID 95298106
7-[2-(carbamoylamino)propanoylamino]heptanoic acid
CID 43358941
(2S)-2-[2-[(2-cyclohexylacetyl)amino]propanoylamino]-3-methylbutanoic acid
CID 119359472
4-[2-[2-[(2-cyclohexylacetyl)amino]propanoylamino]ethyl]benzoic acid
CID 119168621
6-(3-cyclopentylpropanoylamino)hexanoic acid
CID 16784943
7-(3-cyclopentylpropanoylamino)heptanoic acid
CID 24697400
(2S)-2-[(2-cyclohexylacetyl)amino]-N-[(2-hydroxyphenyl)methyl]propanamide
CID 95305329
6-(4-cyclopentylbutanoylamino)hexanoic acid
CID 119220158
7-(cyclohexylmethylcarbamoylamino)heptanoic acid
CID 61197262

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2-cyclohexylacetyl)amino]propanoylamino]hexanoic acid?
The IUPAC name of 6-[2-[(2-cyclohexylacetyl)amino]propanoylamino]hexanoic acid (CID 119219690) is 6-[2-[(2-cyclohexylacetyl)amino]propanoylamino]hexanoic acid.
What is the SMILES notation for 6-[2-[(2-cyclohexylacetyl)amino]propanoylamino]hexanoic acid?
The canonical SMILES for 6-[2-[(2-cyclohexylacetyl)amino]propanoylamino]hexanoic acid is CC(NC(=O)CC1CCCCC1)C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[2-[(2-cyclohexylacetyl)amino]propanoylamino]hexanoic acid?
The InChIKey is WOBADBJDWBYTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-13(17(23)18-11-7-3-6-10-16(21)22)19-15(20)12-14-8-4-2-5-9-14/h13-14H,2-12H2,1H3,(H,18,23)(H,19,20)(H,21,22).
What are the key properties of 6-[2-[(2-cyclohexylacetyl)amino]propanoylamino]hexanoic acid?
6-[2-[(2-cyclohexylacetyl)amino]propanoylamino]hexanoic acid has a molecular weight of 326.44 g/mol, XLogP of 2.22, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2-cyclohexylacetyl)amino]propanoylamino]hexanoic acid is sourced from PubChem (CID 119219690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).