4-(dodecanoylamino)-5-(hydroxyamino)-5-oxopentanoic acid

C17H32N2O5 — CID 86196157

IUPAC4-(dodecanoylamino)-5-(hydroxyamino)-5-oxopentanoic acid
SMILESCCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)NO
InChIInChI=1S/C17H32N2O5/c1-2-3-4-5-6-7-8-9-10-11-15(20)18-14(17(23)19-24)12-13-16(21)22/h14,24H,2-13H2,1H3,(H,18,20)(H,19,23)(H,21,22)
InChIKeyXLQYJEKPVVUODK-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.76
Rot. Bonds15

About 4-(dodecanoylamino)-5-(hydroxyamino)-5-oxopentanoic acid

4-(dodecanoylamino)-5-(hydroxyamino)-5-oxopentanoic acid (PubChem CID 86196157) has the molecular formula C17H32N2O5 and a molecular weight of 344.45 g/mol. Its IUPAC name is 4-(dodecanoylamino)-5-(hydroxyamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name4-(dodecanoylamino)-5-(hydroxyamino)-5-oxopentanoic acid
PubChem CID86196157
Molecular FormulaC17H32N2O5
Molecular Weight344.45 g/mol
Exact Mass344.23
IUPAC Name4-(dodecanoylamino)-5-(hydroxyamino)-5-oxopentanoic acid
SMILESCCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)NO
InChIInChI=1S/C17H32N2O5/c1-2-3-4-5-6-7-8-9-10-11-15(20)18-14(17(23)19-24)12-13-16(21)22/h14,24H,2-13H2,1H3,(H,18,20)(H,19,23)(H,21,22)
InChIKeyXLQYJEKPVVUODK-UHFFFAOYSA-N
XLogP2.76
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(dodecanoylamino)-5-(dodecylamino)-5-oxopentanoic acid
CID 71347197
(2S)-2-(tetradecanoylamino)pentanedioic acid
CID 18634845
2-(dodecanoylamino)pentanedioic acid;bis(hexane)
CID 175093348
(2R)-2-(undecanoylamino)pentanedioic acid
CID 11472521
N-Myristoyl-L-glutamic acid sodium salt
CID 87532244
potassium (2R)-2-(dodecanoylamino)pentanedioic acid
CID 10270407
alumane;(2S)-2-(dodecanoylamino)pentanedioic acid
CID 173075186
azane;(2S)-2-(dodecanoylamino)pentanedioic acid
CID 173170599
(2S)-2-(hexanoylamino)pentanedioic acid
CID 54368145
5-hydroxy-2-(octadecanoylamino)-5-oxopentanoate
CID 20606586
sodium;(2R)-2-(hexadecanoylamino)pentanedioic acid;hydride
CID 173283992
aluminum tris((2S)-5-hydroxy-5-oxo-2-(tetradecanoylamino)pentanoate)
CID 173022348

Frequently Asked Questions

What is the IUPAC name of 4-(dodecanoylamino)-5-(hydroxyamino)-5-oxopentanoic acid?
The IUPAC name of 4-(dodecanoylamino)-5-(hydroxyamino)-5-oxopentanoic acid (CID 86196157) is 4-(dodecanoylamino)-5-(hydroxyamino)-5-oxopentanoic acid.
What is the SMILES notation for 4-(dodecanoylamino)-5-(hydroxyamino)-5-oxopentanoic acid?
The canonical SMILES for 4-(dodecanoylamino)-5-(hydroxyamino)-5-oxopentanoic acid is CCCCCCCCCCCC(=O)NC(CCC(=O)O)C(=O)NO.
What is the InChIKey of 4-(dodecanoylamino)-5-(hydroxyamino)-5-oxopentanoic acid?
The InChIKey is XLQYJEKPVVUODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O5/c1-2-3-4-5-6-7-8-9-10-11-15(20)18-14(17(23)19-24)12-13-16(21)22/h14,24H,2-13H2,1H3,(H,18,20)(H,19,23)(H,21,22).
What are the key properties of 4-(dodecanoylamino)-5-(hydroxyamino)-5-oxopentanoic acid?
4-(dodecanoylamino)-5-(hydroxyamino)-5-oxopentanoic acid has a molecular weight of 344.45 g/mol, XLogP of 2.76, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dodecanoylamino)-5-(hydroxyamino)-5-oxopentanoic acid is sourced from PubChem (CID 86196157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).