methyl N-[(5S)-2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-5-yl]carbamate

C8H16NO6P — CID 142738614

IUPACmethyl N-[(5S)-2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-5-yl]carbamate
SMILESCOC(=O)N[C@H]1CCCCOP(=O)(O)OC1
InChIInChI=1S/C8H16NO6P/c1-13-8(10)9-7-4-2-3-5-14-16(11,12)15-6-7/h7H,2-6H2,1H3,(H,9,10)(H,11,12)/t7-/m0/s1
InChIKeyJHOQYRWQILDMIL-ZETCQYMHSA-N
MW253.19 g/mol
LogP1.03
Rot. Bonds1

About methyl N-[(5S)-2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-5-yl]carbamate

methyl N-[(5S)-2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-5-yl]carbamate (PubChem CID 142738614) has the molecular formula C8H16NO6P and a molecular weight of 253.19 g/mol. Its IUPAC name is methyl N-[(5S)-2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-5-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(5S)-2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-5-yl]carbamate
PubChem CID142738614
Molecular FormulaC8H16NO6P
Molecular Weight253.19 g/mol
Exact Mass253.07
IUPAC Namemethyl N-[(5S)-2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-5-yl]carbamate
SMILESCOC(=O)N[C@H]1CCCCOP(=O)(O)OC1
InChIInChI=1S/C8H16NO6P/c1-13-8(10)9-7-4-2-3-5-14-16(11,12)15-6-7/h7H,2-6H2,1H3,(H,9,10)(H,11,12)/t7-/m0/s1
InChIKeyJHOQYRWQILDMIL-ZETCQYMHSA-N
XLogP1.03
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl N-cyclohexadecylcarbamate
CID 131977131
2-hydroxy-1,3-dioxa-2λ5-phosphacyclododecane 2-oxide
CID 154259848
tert-butyl N-(oxan-3-yl)carbamate
CID 63789746
methyl N-(1,4-dioxepan-6-yl)carbamate
CID 130643891
methyl N-(3-hydroxycyclohexyl)carbamate
CID 103626697
methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate
CID 144980876
methyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653640
methyl N-(2-methylcyclohexyl)carbamate
CID 58423091
methyl N-(1-ethylazepan-4-yl)carbamate
CID 166167554
methyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate
CID 54392444
N-(oxan-3-yl)acetamide
CID 55285282
cyclopentylcarbamoperoxoic acid
CID 143557914

Frequently Asked Questions

What is the IUPAC name of methyl N-[(5S)-2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-5-yl]carbamate?
The IUPAC name of methyl N-[(5S)-2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-5-yl]carbamate (CID 142738614) is methyl N-[(5S)-2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-5-yl]carbamate.
What is the SMILES notation for methyl N-[(5S)-2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-5-yl]carbamate?
The canonical SMILES for methyl N-[(5S)-2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-5-yl]carbamate is COC(=O)N[C@H]1CCCCOP(=O)(O)OC1.
What is the InChIKey of methyl N-[(5S)-2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-5-yl]carbamate?
The InChIKey is JHOQYRWQILDMIL-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16NO6P/c1-13-8(10)9-7-4-2-3-5-14-16(11,12)15-6-7/h7H,2-6H2,1H3,(H,9,10)(H,11,12)/t7-/m0/s1.
What are the key properties of methyl N-[(5S)-2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-5-yl]carbamate?
methyl N-[(5S)-2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-5-yl]carbamate has a molecular weight of 253.19 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(5S)-2-hydroxy-2-oxo-1,3,2λ5-dioxaphosphonan-5-yl]carbamate is sourced from PubChem (CID 142738614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).