4-hydroxy-9-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-9-oxonon-2-enoic acid

C18H32N2O5 — CID 74948398

IUPAC4-hydroxy-9-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-9-oxonon-2-enoic acid
SMILESCC1(C)CC(NC(=O)CCCCC(O)C=CC(=O)O)CC(C)(C)N1O
InChIInChI=1S/C18H32N2O5/c1-17(2)11-13(12-18(3,4)20(17)25)19-15(22)8-6-5-7-14(21)9-10-16(23)24/h9-10,13-14,21,25H,5-8,11-12H2,1-4H3,(H,19,22)(H,23,24)
InChIKeyBJPGKGSOOMQVIG-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.08
Rot. Bonds8

About 4-hydroxy-9-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-9-oxonon-2-enoic acid

4-hydroxy-9-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-9-oxonon-2-enoic acid (PubChem CID 74948398) has the molecular formula C18H32N2O5 and a molecular weight of 356.46 g/mol. Its IUPAC name is 4-hydroxy-9-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-9-oxonon-2-enoic acid.

Molecular Properties

Compound Name4-hydroxy-9-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-9-oxonon-2-enoic acid
PubChem CID74948398
Molecular FormulaC18H32N2O5
Molecular Weight356.46 g/mol
Exact Mass356.23
IUPAC Name4-hydroxy-9-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-9-oxonon-2-enoic acid
SMILESCC1(C)CC(NC(=O)CCCCC(O)C=CC(=O)O)CC(C)(C)N1O
InChIInChI=1S/C18H32N2O5/c1-17(2)11-13(12-18(3,4)20(17)25)19-15(22)8-6-5-7-14(21)9-10-16(23)24/h9-10,13-14,21,25H,5-8,11-12H2,1-4H3,(H,19,22)(H,23,24)
InChIKeyBJPGKGSOOMQVIG-UHFFFAOYSA-N
XLogP2.08
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-hydroxy-9-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-9-oxonon-2-enoic acid with MolForge

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Related Compounds

(2E)-4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxydeca-2,9-dienoic acid
CID 143812598
4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-8-methylnon-2-enoic acid
CID 76638062
[6-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-oxohexyl]-trimethylazanium bromide
CID 71752724
3-chloro-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 91987853
6-hydrazinyl-N-[1-(1-hydroxyethyl)-2,2,6,6-tetramethylpiperidin-4-yl]-6-oxohexanamide
CID 19090275
4-(hydroxymethyl)-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-oxonon-2-enoic acid
CID 76638051
CID 153419566
CID 153419566
CID 101170549
CID 101170549
10-oxo-10-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]decanoic acid
CID 11638683
N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-2-methylpropanamide
CID 58178690
4-hydroxyheptacos-2-enoic acid
CID 88698148
(E,5S)-N-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-7-methyl-5-(pentanoylamino)oct-3-enamide
CID 155070136

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-9-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-9-oxonon-2-enoic acid?
The IUPAC name of 4-hydroxy-9-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-9-oxonon-2-enoic acid (CID 74948398) is 4-hydroxy-9-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-9-oxonon-2-enoic acid.
What is the SMILES notation for 4-hydroxy-9-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-9-oxonon-2-enoic acid?
The canonical SMILES for 4-hydroxy-9-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-9-oxonon-2-enoic acid is CC1(C)CC(NC(=O)CCCCC(O)C=CC(=O)O)CC(C)(C)N1O.
What is the InChIKey of 4-hydroxy-9-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-9-oxonon-2-enoic acid?
The InChIKey is BJPGKGSOOMQVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O5/c1-17(2)11-13(12-18(3,4)20(17)25)19-15(22)8-6-5-7-14(21)9-10-16(23)24/h9-10,13-14,21,25H,5-8,11-12H2,1-4H3,(H,19,22)(H,23,24).
What are the key properties of 4-hydroxy-9-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-9-oxonon-2-enoic acid?
4-hydroxy-9-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-9-oxonon-2-enoic acid has a molecular weight of 356.46 g/mol, XLogP of 2.08, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-9-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-9-oxonon-2-enoic acid is sourced from PubChem (CID 74948398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).