[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]-pentylphosphinic acid

C15H28NO4P — CID 22281269

IUPAC[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]-pentylphosphinic acid
SMILESCCCCCP(=O)(O)C1=CC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28NO4P/c1-5-6-7-10-21(18,19)13-9-8-12(11-13)16-14(17)20-15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyOADMNDASDNVSIR-UHFFFAOYSA-N
MW317.37 g/mol
LogP4.02
Rot. Bonds6

About [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]-pentylphosphinic acid

[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]-pentylphosphinic acid (PubChem CID 22281269) has the molecular formula C15H28NO4P and a molecular weight of 317.37 g/mol. Its IUPAC name is [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]-pentylphosphinic acid.

Molecular Properties

Compound Name[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]-pentylphosphinic acid
PubChem CID22281269
Molecular FormulaC15H28NO4P
Molecular Weight317.37 g/mol
Exact Mass317.18
IUPAC Name[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]-pentylphosphinic acid
SMILESCCCCCP(=O)(O)C1=CC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28NO4P/c1-5-6-7-10-21(18,19)13-9-8-12(11-13)16-14(17)20-15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyOADMNDASDNVSIR-UHFFFAOYSA-N
XLogP4.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
hydroxy-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]pentyl]-oxophosphanium
CID 69104475
butyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]phosphinate
CID 22281228
tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate
CID 103947988
tert-butyl N-[4-(hexylamino)cyclohexyl]carbamate
CID 79113104
tert-butyl N-[(3S)-6-oxo-1-pentadecylpiperidin-3-yl]carbamate
CID 167356860
tert-butyl N-[(1S,3S)-3-[butyl(ethoxy)phosphoryl]cyclopentyl]carbamate
CID 11551713
tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate
CID 79462575
tert-butyl N-[7-(pentylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 67920486
[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexen-1-yl] trifluoromethanesulfonate
CID 122525569
tert-butyl N-[(3R,4R)-2-oxo-4-undecylazetidin-3-yl]carbamate
CID 122221251

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]-pentylphosphinic acid?
The IUPAC name of [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]-pentylphosphinic acid (CID 22281269) is [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]-pentylphosphinic acid.
What is the SMILES notation for [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]-pentylphosphinic acid?
The canonical SMILES for [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]-pentylphosphinic acid is CCCCCP(=O)(O)C1=CC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]-pentylphosphinic acid?
The InChIKey is OADMNDASDNVSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28NO4P/c1-5-6-7-10-21(18,19)13-9-8-12(11-13)16-14(17)20-15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]-pentylphosphinic acid?
[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]-pentylphosphinic acid has a molecular weight of 317.37 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]-pentylphosphinic acid is sourced from PubChem (CID 22281269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).