6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]undecanoic acid

C21H40N2O4 — CID 90832093

IUPAC6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]undecanoic acid
SMILESCCCCCC(CCCCC(=O)O)NC(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H40N2O4/c1-6-7-8-11-16(12-9-10-13-18(24)25)22-19(26)27-17-14-20(2,3)23-21(4,5)15-17/h16-17,23H,6-15H2,1-5H3,(H,22,26)(H,24,25)
InChIKeyHZLZLQCSZVKGSU-UHFFFAOYSA-N
MW384.56 g/mol
LogP4.62
Rot. Bonds11

About 6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]undecanoic acid

6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]undecanoic acid (PubChem CID 90832093) has the molecular formula C21H40N2O4 and a molecular weight of 384.56 g/mol. Its IUPAC name is 6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]undecanoic acid.

Molecular Properties

Compound Name6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]undecanoic acid
PubChem CID90832093
Molecular FormulaC21H40N2O4
Molecular Weight384.56 g/mol
Exact Mass384.30
IUPAC Name6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]undecanoic acid
SMILESCCCCCC(CCCCC(=O)O)NC(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H40N2O4/c1-6-7-8-11-16(12-9-10-13-18(24)25)22-19(26)27-17-14-20(2,3)23-21(4,5)15-17/h16-17,23H,6-15H2,1-5H3,(H,22,26)(H,24,25)
InChIKeyHZLZLQCSZVKGSU-UHFFFAOYSA-N
XLogP4.62
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.56
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid
CID 159079251
hexadecanoic acid;2,2,6,6-tetramethylpiperidine
CID 175009118
9-(prop-2-enoylamino)octadecanoic acid
CID 88669538
(2,2,6,6-tetramethylpiperidin-4-yl) 2-hexyl-5-methylundec-3-enoate
CID 71130144
ethanol;hexanedioic acid;2,2,6,6-tetramethylpiperidin-4-ol
CID 174733730
CID 57488644
CID 57488644
bis(2,2,6,6-tetramethylpiperidin-4-yl) 3-ethyldecanedioate
CID 137448538
2-(2,2,6,6-tetramethylpiperidin-4-yl)-6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]hexanoic acid
CID 22725764
(7R,8R)-7,8-dichlorohexadecanoic acid
CID 98055141
tetracosan-7-ylcarbamic acid
CID 174971308
23-pentylpentatetracontanedioic acid
CID 141048477
10-hexyloctadecanoic acid
CID 91174619

Frequently Asked Questions

What is the IUPAC name of 6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]undecanoic acid?
The IUPAC name of 6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]undecanoic acid (CID 90832093) is 6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]undecanoic acid.
What is the SMILES notation for 6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]undecanoic acid?
The canonical SMILES for 6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]undecanoic acid is CCCCCC(CCCCC(=O)O)NC(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]undecanoic acid?
The InChIKey is HZLZLQCSZVKGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O4/c1-6-7-8-11-16(12-9-10-13-18(24)25)22-19(26)27-17-14-20(2,3)23-21(4,5)15-17/h16-17,23H,6-15H2,1-5H3,(H,22,26)(H,24,25).
What are the key properties of 6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]undecanoic acid?
6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]undecanoic acid has a molecular weight of 384.56 g/mol, XLogP of 4.62, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]undecanoic acid is sourced from PubChem (CID 90832093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).