4-(6-hydroxyhexylamino)-4-oxobutanoic acid

C10H19NO4 — CID 82675255

IUPAC4-(6-hydroxyhexylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCCCCCCO
InChIInChI=1S/C10H19NO4/c12-8-4-2-1-3-7-11-9(13)5-6-10(14)15/h12H,1-8H2,(H,11,13)(H,14,15)
InChIKeyPWUFIOOIVSGSRA-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.52
Rot. Bonds9

About 4-(6-hydroxyhexylamino)-4-oxobutanoic acid

4-(6-hydroxyhexylamino)-4-oxobutanoic acid (PubChem CID 82675255) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 4-(6-hydroxyhexylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(6-hydroxyhexylamino)-4-oxobutanoic acid
PubChem CID82675255
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name4-(6-hydroxyhexylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCCCCCCO
InChIInChI=1S/C10H19NO4/c12-8-4-2-1-3-7-11-9(13)5-6-10(14)15/h12H,1-8H2,(H,11,13)(H,14,15)
InChIKeyPWUFIOOIVSGSRA-UHFFFAOYSA-N
XLogP0.52
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.52
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

4-[6-(3-carboxypropanoylamino)hexylamino]-4-oxobutanoic acid
CID 3888239
4-[hydroxy-[5-[[4-[hydroxy(5-hydroxypentyl)amino]-4-oxobutanoyl]amino]pentyl]amino]-4-oxobutanoic acid
CID 71613703
4-[[2-[11-[[2-(3-carboxypropanoylamino)acetyl]amino]undecylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 89444985
4-(8-aminooctylamino)-4-oxobutanoic acid
CID 118437583
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
4-[5-(methylamino)pentylamino]-4-oxobutanoic acid;yttrium
CID 59926153
4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551
N-(4-hydroxybutyl)-4-oxopentanamide
CID 58331315
4-[5-(carboxymethylcarbamoylamino)pentylamino]-4-oxobutanoic acid
CID 144662946
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
CID 170853910

Frequently Asked Questions

What is the IUPAC name of 4-(6-hydroxyhexylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(6-hydroxyhexylamino)-4-oxobutanoic acid (CID 82675255) is 4-(6-hydroxyhexylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(6-hydroxyhexylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(6-hydroxyhexylamino)-4-oxobutanoic acid is O=C(O)CCC(=O)NCCCCCCO.
What is the InChIKey of 4-(6-hydroxyhexylamino)-4-oxobutanoic acid?
The InChIKey is PWUFIOOIVSGSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c12-8-4-2-1-3-7-11-9(13)5-6-10(14)15/h12H,1-8H2,(H,11,13)(H,14,15).
What are the key properties of 4-(6-hydroxyhexylamino)-4-oxobutanoic acid?
4-(6-hydroxyhexylamino)-4-oxobutanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.52, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-hydroxyhexylamino)-4-oxobutanoic acid is sourced from PubChem (CID 82675255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).