20-(1-hydroxyethylamino)-20-oxoicosanoic acid

C22H43NO4 — CID 137417852

IUPAC20-(1-hydroxyethylamino)-20-oxoicosanoic acid
SMILESCC(O)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C22H43NO4/c1-20(24)23-21(25)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-22(26)27/h20,24H,2-19H2,1H3,(H,23,25)(H,26,27)
InChIKeyONMNMRJKUCTLBG-UHFFFAOYSA-N
MW385.59 g/mol
LogP5.55
Rot. Bonds20

About 20-(1-hydroxyethylamino)-20-oxoicosanoic acid

20-(1-hydroxyethylamino)-20-oxoicosanoic acid (PubChem CID 137417852) has the molecular formula C22H43NO4 and a molecular weight of 385.59 g/mol. Its IUPAC name is 20-(1-hydroxyethylamino)-20-oxoicosanoic acid.

Molecular Properties

Compound Name20-(1-hydroxyethylamino)-20-oxoicosanoic acid
PubChem CID137417852
Molecular FormulaC22H43NO4
Molecular Weight385.59 g/mol
Exact Mass385.32
IUPAC Name20-(1-hydroxyethylamino)-20-oxoicosanoic acid
SMILESCC(O)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C22H43NO4/c1-20(24)23-21(25)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-22(26)27/h20,24H,2-19H2,1H3,(H,23,25)(H,26,27)
InChIKeyONMNMRJKUCTLBG-UHFFFAOYSA-N
XLogP5.55
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.59
LogP ≤ 55.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 174510422
hexanedioic acid;1-(1-hydroxyethylamino)ethanol
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14-oxo-14-[[(2R)-5-oxohexan-2-yl]amino]tetradecanoic acid
CID 129234537
ethane-1,1-diol;hexanedioic acid
CID 160553867
1-[bis(1-hydroxyethyl)amino]ethanol;decanedioic acid
CID 87904285
5-(1-carboxyethylamino)-5-oxopentanoic acid
CID 20586207
5-[[(1R)-1-carboxyethyl]amino]-5-oxopentanoic acid
CID 143725442
N,N'-di(propan-2-yl)decanediamide
CID 58997511
(2R)-2-[[22-[[(1R)-1-carboxyethyl]amino]-22-oxodocosanoyl]amino]propanoic acid
CID 100962390
(2R)-2-[[14-[[(1R)-1-carboxyethyl]amino]-14-oxotetradecanoyl]amino]propanoic acid
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N-(1-hydroxyethyl)-6-(prop-2-enoylamino)hexanamide
CID 174411041

Frequently Asked Questions

What is the IUPAC name of 20-(1-hydroxyethylamino)-20-oxoicosanoic acid?
The IUPAC name of 20-(1-hydroxyethylamino)-20-oxoicosanoic acid (CID 137417852) is 20-(1-hydroxyethylamino)-20-oxoicosanoic acid.
What is the SMILES notation for 20-(1-hydroxyethylamino)-20-oxoicosanoic acid?
The canonical SMILES for 20-(1-hydroxyethylamino)-20-oxoicosanoic acid is CC(O)NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 20-(1-hydroxyethylamino)-20-oxoicosanoic acid?
The InChIKey is ONMNMRJKUCTLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO4/c1-20(24)23-21(25)18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-22(26)27/h20,24H,2-19H2,1H3,(H,23,25)(H,26,27).
What are the key properties of 20-(1-hydroxyethylamino)-20-oxoicosanoic acid?
20-(1-hydroxyethylamino)-20-oxoicosanoic acid has a molecular weight of 385.59 g/mol, XLogP of 5.55, 20 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(1-hydroxyethylamino)-20-oxoicosanoic acid is sourced from PubChem (CID 137417852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).