methyl 1-(diethoxyphosphorylamino)cyclohexane-1-carboxylate

C12H24NO5P — CID 110192724

IUPACmethyl 1-(diethoxyphosphorylamino)cyclohexane-1-carboxylate
SMILESCCOP(=O)(NC1(C(=O)OC)CCCCC1)OCC
InChIInChI=1S/C12H24NO5P/c1-4-17-19(15,18-5-2)13-12(11(14)16-3)9-7-6-8-10-12/h4-10H2,1-3H3,(H,13,15)
InChIKeyKTFOSFVIYDTQRF-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.63
Rot. Bonds7

About methyl 1-(diethoxyphosphorylamino)cyclohexane-1-carboxylate

methyl 1-(diethoxyphosphorylamino)cyclohexane-1-carboxylate (PubChem CID 110192724) has the molecular formula C12H24NO5P and a molecular weight of 293.30 g/mol. Its IUPAC name is methyl 1-(diethoxyphosphorylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(diethoxyphosphorylamino)cyclohexane-1-carboxylate
PubChem CID110192724
Molecular FormulaC12H24NO5P
Molecular Weight293.30 g/mol
Exact Mass293.14
IUPAC Namemethyl 1-(diethoxyphosphorylamino)cyclohexane-1-carboxylate
SMILESCCOP(=O)(NC1(C(=O)OC)CCCCC1)OCC
InChIInChI=1S/C12H24NO5P/c1-4-17-19(15,18-5-2)13-12(11(14)16-3)9-7-6-8-10-12/h4-10H2,1-3H3,(H,13,15)
InChIKeyKTFOSFVIYDTQRF-UHFFFAOYSA-N
XLogP2.63
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-(ethylamino)cyclododecane-1-carboxylate
CID 60788037
methyl 1-(butan-2-ylamino)cyclooctane-1-carboxylate
CID 54908156
methyl 1-(chloromethylsulfonylamino)cyclohexane-1-carboxylate
CID 107858830
methyl 1-(ethylsulfamoylamino)cyclohexane-1-carboxylate
CID 14976116
methyl 1-(prop-2-ynylamino)cyclohexane-1-carboxylate
CID 62367369
methyl 1-(cyclohexylamino)cyclohexane-1-carboxylate
CID 54892504
1-methoxycarbonyl-1-(sulfinatoamino)cyclohexane
CID 57032516
methyl 1-(3-chloropropylsulfonylamino)cyclohexane-1-carboxylate
CID 107858831
tert-butyl 1-diethoxyphosphorylcyclopentane-1-carboxylate
CID 11808932
1,1-bis(diethoxyphosphoryl)cyclohexane
CID 14689987
methyl 1-(acetylsulfanylmethyl)cyclohexane-1-carboxylate
CID 58947950
methyl 1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 60796416

Frequently Asked Questions

What is the IUPAC name of methyl 1-(diethoxyphosphorylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(diethoxyphosphorylamino)cyclohexane-1-carboxylate (CID 110192724) is methyl 1-(diethoxyphosphorylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(diethoxyphosphorylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(diethoxyphosphorylamino)cyclohexane-1-carboxylate is CCOP(=O)(NC1(C(=O)OC)CCCCC1)OCC.
What is the InChIKey of methyl 1-(diethoxyphosphorylamino)cyclohexane-1-carboxylate?
The InChIKey is KTFOSFVIYDTQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NO5P/c1-4-17-19(15,18-5-2)13-12(11(14)16-3)9-7-6-8-10-12/h4-10H2,1-3H3,(H,13,15).
What are the key properties of methyl 1-(diethoxyphosphorylamino)cyclohexane-1-carboxylate?
methyl 1-(diethoxyphosphorylamino)cyclohexane-1-carboxylate has a molecular weight of 293.30 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(diethoxyphosphorylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 110192724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).