methyl 2-(cyclopentanecarbonylamino)-2-dimethoxyphosphorylacetate

C11H20NO6P — CID 87714342

IUPACmethyl 2-(cyclopentanecarbonylamino)-2-dimethoxyphosphorylacetate
SMILESCOC(=O)C(NC(=O)C1CCCC1)P(=O)(OC)OC
InChIInChI=1S/C11H20NO6P/c1-16-11(14)10(19(15,17-2)18-3)12-9(13)8-6-4-5-7-8/h8,10H,4-7H2,1-3H3,(H,12,13)
InChIKeyYAAQZLUPIBDEDW-UHFFFAOYSA-N
MW293.26 g/mol
LogP1.28
Rot. Bonds6

About methyl 2-(cyclopentanecarbonylamino)-2-dimethoxyphosphorylacetate

methyl 2-(cyclopentanecarbonylamino)-2-dimethoxyphosphorylacetate (PubChem CID 87714342) has the molecular formula C11H20NO6P and a molecular weight of 293.26 g/mol. Its IUPAC name is methyl 2-(cyclopentanecarbonylamino)-2-dimethoxyphosphorylacetate.

Molecular Properties

Compound Namemethyl 2-(cyclopentanecarbonylamino)-2-dimethoxyphosphorylacetate
PubChem CID87714342
Molecular FormulaC11H20NO6P
Molecular Weight293.26 g/mol
Exact Mass293.10
IUPAC Namemethyl 2-(cyclopentanecarbonylamino)-2-dimethoxyphosphorylacetate
SMILESCOC(=O)C(NC(=O)C1CCCC1)P(=O)(OC)OC
InChIInChI=1S/C11H20NO6P/c1-16-11(14)10(19(15,17-2)18-3)12-9(13)8-6-4-5-7-8/h8,10H,4-7H2,1-3H3,(H,12,13)
InChIKeyYAAQZLUPIBDEDW-UHFFFAOYSA-N
XLogP1.28
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(cycloheptanecarbonylamino)propanoate
CID 55208947
methyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 2476646
methyl 3-amino-2-(cyclohexanecarbonylamino)propanoate
CID 166727828
bis(cyclohexanecarbonylamino) methyl phosphate
CID 21440720
[(2S)-2-(cyclopentanecarbonylamino)-3-methoxy-3-oxopropyl] cyclopentanecarboxylate
CID 22213950
N-methoxycyclopentanecarboxamide
CID 59130435
N-[(2R)-1-(methoxyamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94646380
N-(3-aminobutan-2-yl)cyclopentanecarboxamide
CID 130908658
molecular hydrogen;N-propan-2-ylcyclohexanecarboxamide
CID 165395427
propan-2-yl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 94867461
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclopentanecarboxamide
CID 42702289
2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid
CID 55091388

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopentanecarbonylamino)-2-dimethoxyphosphorylacetate?
The IUPAC name of methyl 2-(cyclopentanecarbonylamino)-2-dimethoxyphosphorylacetate (CID 87714342) is methyl 2-(cyclopentanecarbonylamino)-2-dimethoxyphosphorylacetate.
What is the SMILES notation for methyl 2-(cyclopentanecarbonylamino)-2-dimethoxyphosphorylacetate?
The canonical SMILES for methyl 2-(cyclopentanecarbonylamino)-2-dimethoxyphosphorylacetate is COC(=O)C(NC(=O)C1CCCC1)P(=O)(OC)OC.
What is the InChIKey of methyl 2-(cyclopentanecarbonylamino)-2-dimethoxyphosphorylacetate?
The InChIKey is YAAQZLUPIBDEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20NO6P/c1-16-11(14)10(19(15,17-2)18-3)12-9(13)8-6-4-5-7-8/h8,10H,4-7H2,1-3H3,(H,12,13).
What are the key properties of methyl 2-(cyclopentanecarbonylamino)-2-dimethoxyphosphorylacetate?
methyl 2-(cyclopentanecarbonylamino)-2-dimethoxyphosphorylacetate has a molecular weight of 293.26 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopentanecarbonylamino)-2-dimethoxyphosphorylacetate is sourced from PubChem (CID 87714342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).