hydroxy-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]pentyl]-oxophosphanium

C15H27NO4P+ — CID 69104475

IUPAChydroxy-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]pentyl]-oxophosphanium
SMILESCC(C)(C)OC(=O)NC1C=C(CCCCC[P+](=O)O)CC1
InChIInChI=1S/C15H26NO4P/c1-15(2,3)20-14(17)16-13-9-8-12(11-13)7-5-4-6-10-21(18)19/h11,13H,4-10H2,1-3H3,(H-,16,17,18,19)/p+1
InChIKeyLFQVMLXASRZSBQ-UHFFFAOYSA-O
MW316.36 g/mol
LogP3.89
Rot. Bonds7

About hydroxy-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]pentyl]-oxophosphanium

hydroxy-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]pentyl]-oxophosphanium (PubChem CID 69104475) has the molecular formula C15H27NO4P+ and a molecular weight of 316.36 g/mol. Its IUPAC name is hydroxy-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]pentyl]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]pentyl]-oxophosphanium
PubChem CID69104475
Molecular FormulaC15H27NO4P+
Molecular Weight316.36 g/mol
Exact Mass316.17
IUPAC Namehydroxy-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]pentyl]-oxophosphanium
SMILESCC(C)(C)OC(=O)NC1C=C(CCCCC[P+](=O)O)CC1
InChIInChI=1S/C15H26NO4P/c1-15(2,3)20-14(17)16-13-9-8-12(11-13)7-5-4-6-10-21(18)19/h11,13H,4-10H2,1-3H3,(H-,16,17,18,19)/p+1
InChIKeyLFQVMLXASRZSBQ-UHFFFAOYSA-O
XLogP3.89
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(1R)-3-cyanocyclopent-2-en-1-yl]carbamate
CID 118685831
tert-butyl N-(3-isocyanocyclopent-2-en-1-yl)carbamate
CID 123304460
[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]-pentylphosphinic acid
CID 22281269
[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexen-1-yl] trifluoromethanesulfonate
CID 122525569
tert-butyl N-(6-methylidenepiperidin-3-yl)carbamate
CID 134551040
methyl (2S)-3-(3-hydroxycyclopenten-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 130394575
tert-butyl N-(4-methylidenecycloheptyl)carbamate
CID 167064848
tert-butyl N-[3-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclopent-2-en-1-yl]carbamate
CID 86639535
tert-butyl N-(8-phenyl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
CID 167388554
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
tert-butyl N-(5-carbamoyl-1,2,3,5,6,7-hexahydroazulen-1-yl)carbamate
CID 143345259
tert-butyl N-[4-(2-bromo-3-methylanilino)cyclohexyl]carbamate
CID 103821402

Frequently Asked Questions

What is the IUPAC name of hydroxy-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]pentyl]-oxophosphanium?
The IUPAC name of hydroxy-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]pentyl]-oxophosphanium (CID 69104475) is hydroxy-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]pentyl]-oxophosphanium.
What is the SMILES notation for hydroxy-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]pentyl]-oxophosphanium?
The canonical SMILES for hydroxy-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]pentyl]-oxophosphanium is CC(C)(C)OC(=O)NC1C=C(CCCCC[P+](=O)O)CC1.
What is the InChIKey of hydroxy-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]pentyl]-oxophosphanium?
The InChIKey is LFQVMLXASRZSBQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H26NO4P/c1-15(2,3)20-14(17)16-13-9-8-12(11-13)7-5-4-6-10-21(18)19/h11,13H,4-10H2,1-3H3,(H-,16,17,18,19)/p+1.
What are the key properties of hydroxy-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]pentyl]-oxophosphanium?
hydroxy-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]pentyl]-oxophosphanium has a molecular weight of 316.36 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]pentyl]-oxophosphanium is sourced from PubChem (CID 69104475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).