2,6-bis(6-hydroxyhexanoylamino)hexanoic acid

C18H34N2O6 — CID 132936329

IUPAC2,6-bis(6-hydroxyhexanoylamino)hexanoic acid
SMILESO=C(CCCCCO)NCCCCC(NC(=O)CCCCCO)C(=O)O
InChIInChI=1S/C18H34N2O6/c21-13-7-1-3-10-16(23)19-12-6-5-9-15(18(25)26)20-17(24)11-4-2-8-14-22/h15,21-22H,1-14H2,(H,19,23)(H,20,24)(H,25,26)
InChIKeyIAACJWGCRHSKBS-UHFFFAOYSA-N
MW374.48 g/mol
LogP0.95
Rot. Bonds17

About 2,6-bis(6-hydroxyhexanoylamino)hexanoic acid

2,6-bis(6-hydroxyhexanoylamino)hexanoic acid (PubChem CID 132936329) has the molecular formula C18H34N2O6 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2,6-bis(6-hydroxyhexanoylamino)hexanoic acid.

Molecular Properties

Compound Name2,6-bis(6-hydroxyhexanoylamino)hexanoic acid
PubChem CID132936329
Molecular FormulaC18H34N2O6
Molecular Weight374.48 g/mol
Exact Mass374.24
IUPAC Name2,6-bis(6-hydroxyhexanoylamino)hexanoic acid
SMILESO=C(CCCCCO)NCCCCC(NC(=O)CCCCCO)C(=O)O
InChIInChI=1S/C18H34N2O6/c21-13-7-1-3-10-16(23)19-12-6-5-9-15(18(25)26)20-17(24)11-4-2-8-14-22/h15,21-22H,1-14H2,(H,19,23)(H,20,24)(H,25,26)
InChIKeyIAACJWGCRHSKBS-UHFFFAOYSA-N
XLogP0.95
TPSA135.96 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 50.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis(3-sulfanylpropanoylamino)hexanoic acid
CID 89167992
16-[[5-[(2-bromoacetyl)amino]-1-carboxypentyl]amino]-16-oxohexadecanoic acid
CID 88929631
18-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(5S)-5-carboxy-5-(phosphanylamino)pentyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 88946729
16-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(5S)-5-methyl-6-oxoheptyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-16-oxohexadecanoic acid
CID 118070991
2,6-bis(4-oxopentanoylamino)hexanoic acid
CID 59434222
18-[[(1S)-1-carboxy-4-[[4-[[4-[[4-[[4-[[(5S)-5-carboxy-5-(phosphanylamino)pentyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 88946667
(2S)-2-[[2-[[(1S)-1-carboxy-5-(dodecanoylamino)pentyl]amino]-2-oxoacetyl]amino]-6-(dodecanoylamino)hexanoic acid
CID 101258757
(2R)-2,6-bis[(2-hydroxyacetyl)amino]hexanoic acid
CID 124780506
18-[[4-[[(5R)-5-aminohexyl]amino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 162681415
18-[[(1S)-1-carboxy-4-[[(5S)-5-methyl-6-[[(5S)-5-methyl-6-oxoheptyl]amino]-6-oxohexyl]amino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
CID 118071019
22-[[1-carboxy-4-(heptylamino)-4-oxobutyl]amino]-22-oxodocosanoic acid
CID 178049732
2-(6-acetamidohexanoylamino)hexanoic acid
CID 43469673

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(6-hydroxyhexanoylamino)hexanoic acid?
The IUPAC name of 2,6-bis(6-hydroxyhexanoylamino)hexanoic acid (CID 132936329) is 2,6-bis(6-hydroxyhexanoylamino)hexanoic acid.
What is the SMILES notation for 2,6-bis(6-hydroxyhexanoylamino)hexanoic acid?
The canonical SMILES for 2,6-bis(6-hydroxyhexanoylamino)hexanoic acid is O=C(CCCCCO)NCCCCC(NC(=O)CCCCCO)C(=O)O.
What is the InChIKey of 2,6-bis(6-hydroxyhexanoylamino)hexanoic acid?
The InChIKey is IAACJWGCRHSKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O6/c21-13-7-1-3-10-16(23)19-12-6-5-9-15(18(25)26)20-17(24)11-4-2-8-14-22/h15,21-22H,1-14H2,(H,19,23)(H,20,24)(H,25,26).
What are the key properties of 2,6-bis(6-hydroxyhexanoylamino)hexanoic acid?
2,6-bis(6-hydroxyhexanoylamino)hexanoic acid has a molecular weight of 374.48 g/mol, XLogP of 0.95, 17 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(6-hydroxyhexanoylamino)hexanoic acid is sourced from PubChem (CID 132936329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).