butyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]phosphinate

C14H27NO4P- — CID 22281228

IUPACbutyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]phosphinate
SMILESCCCCP(=O)([O-])C1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28NO4P/c1-5-6-9-20(17,18)12-8-7-11(10-12)15-13(16)19-14(2,3)4/h11-12H,5-10H2,1-4H3,(H,15,16)(H,17,18)/p-1
InChIKeyDDMRILOAZWGMON-UHFFFAOYSA-M
MW304.35 g/mol
LogP2.87
Rot. Bonds5

About butyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]phosphinate

butyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]phosphinate (PubChem CID 22281228) has the molecular formula C14H27NO4P- and a molecular weight of 304.35 g/mol. Its IUPAC name is butyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]phosphinate.

Molecular Properties

Compound Namebutyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]phosphinate
PubChem CID22281228
Molecular FormulaC14H27NO4P-
Molecular Weight304.35 g/mol
Exact Mass304.17
IUPAC Namebutyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]phosphinate
SMILESCCCCP(=O)([O-])C1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28NO4P/c1-5-6-9-20(17,18)12-8-7-11(10-12)15-13(16)19-14(2,3)4/h11-12H,5-10H2,1-4H3,(H,15,16)(H,17,18)/p-1
InChIKeyDDMRILOAZWGMON-UHFFFAOYSA-M
XLogP2.87
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-[3-(heptan-2-ylamino)cyclopentyl]carbamate
CID 79462216
tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate
CID 103947988
tert-butyl N-[4-(hexylamino)cyclohexyl]carbamate
CID 79113104
tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate
CID 103719960
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-(ethylcarbamoyl)cyclopentyl]carbamate
CID 123825419
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-[3-[(4-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 103719843

Frequently Asked Questions

What is the IUPAC name of butyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]phosphinate?
The IUPAC name of butyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]phosphinate (CID 22281228) is butyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]phosphinate.
What is the SMILES notation for butyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]phosphinate?
The canonical SMILES for butyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]phosphinate is CCCCP(=O)([O-])C1CCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of butyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]phosphinate?
The InChIKey is DDMRILOAZWGMON-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H28NO4P/c1-5-6-9-20(17,18)12-8-7-11(10-12)15-13(16)19-14(2,3)4/h11-12H,5-10H2,1-4H3,(H,15,16)(H,17,18)/p-1.
What are the key properties of butyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]phosphinate?
butyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]phosphinate has a molecular weight of 304.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]phosphinate is sourced from PubChem (CID 22281228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).