1-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]cyclobutane-1-carboxylic acid

C10H18NO7P — CID 175588209

IUPAC1-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]cyclobutane-1-carboxylic acid
SMILESCOP(=O)(NC1(C(=O)O)CCC1)OC(=O)OC(C)C
InChIInChI=1S/C10H18NO7P/c1-7(2)17-9(14)18-19(15,16-3)11-10(8(12)13)5-4-6-10/h7H,4-6H2,1-3H3,(H,11,15)(H,12,13)
InChIKeyCFKCPKPQZYDCTJ-UHFFFAOYSA-N
MW295.23 g/mol
LogP1.90
Rot. Bonds6

About 1-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]cyclobutane-1-carboxylic acid

1-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]cyclobutane-1-carboxylic acid (PubChem CID 175588209) has the molecular formula C10H18NO7P and a molecular weight of 295.23 g/mol. Its IUPAC name is 1-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]cyclobutane-1-carboxylic acid
PubChem CID175588209
Molecular FormulaC10H18NO7P
Molecular Weight295.23 g/mol
Exact Mass295.08
IUPAC Name1-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]cyclobutane-1-carboxylic acid
SMILESCOP(=O)(NC1(C(=O)O)CCC1)OC(=O)OC(C)C
InChIInChI=1S/C10H18NO7P/c1-7(2)17-9(14)18-19(15,16-3)11-10(8(12)13)5-4-6-10/h7H,4-6H2,1-3H3,(H,11,15)(H,12,13)
InChIKeyCFKCPKPQZYDCTJ-UHFFFAOYSA-N
XLogP1.90
TPSA111.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.23
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]cyclobutane-1-carboxylic acid (CID 175588209) is 1-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]cyclobutane-1-carboxylic acid is COP(=O)(NC1(C(=O)O)CCC1)OC(=O)OC(C)C.
What is the InChIKey of 1-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is CFKCPKPQZYDCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18NO7P/c1-7(2)17-9(14)18-19(15,16-3)11-10(8(12)13)5-4-6-10/h7H,4-6H2,1-3H3,(H,11,15)(H,12,13).
What are the key properties of 1-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]cyclobutane-1-carboxylic acid?
1-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 295.23 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methoxy(propan-2-yloxycarbonyloxy)phosphoryl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 175588209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).