propan-2-yloxycarbonyloxymethyl 2-[[iodo(methoxymethyl)phosphoryl]amino]-2-methylpropanoate

C11H21INO7P — CID 130323906

IUPACpropan-2-yloxycarbonyloxymethyl 2-[[iodo(methoxymethyl)phosphoryl]amino]-2-methylpropanoate
SMILESCOCP(=O)(I)NC(C)(C)C(=O)OCOC(=O)OC(C)C
InChIInChI=1S/C11H21INO7P/c1-8(2)20-10(15)19-6-18-9(14)11(3,4)13-21(12,16)7-17-5/h8H,6-7H2,1-5H3,(H,13,16)
InChIKeyLBNMOIMECMIGME-UHFFFAOYSA-N
MW437.17 g/mol
LogP2.65
Rot. Bonds8

About propan-2-yloxycarbonyloxymethyl 2-[[iodo(methoxymethyl)phosphoryl]amino]-2-methylpropanoate

propan-2-yloxycarbonyloxymethyl 2-[[iodo(methoxymethyl)phosphoryl]amino]-2-methylpropanoate (PubChem CID 130323906) has the molecular formula C11H21INO7P and a molecular weight of 437.17 g/mol. Its IUPAC name is propan-2-yloxycarbonyloxymethyl 2-[[iodo(methoxymethyl)phosphoryl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namepropan-2-yloxycarbonyloxymethyl 2-[[iodo(methoxymethyl)phosphoryl]amino]-2-methylpropanoate
PubChem CID130323906
Molecular FormulaC11H21INO7P
Molecular Weight437.17 g/mol
Exact Mass437.01
IUPAC Namepropan-2-yloxycarbonyloxymethyl 2-[[iodo(methoxymethyl)phosphoryl]amino]-2-methylpropanoate
SMILESCOCP(=O)(I)NC(C)(C)C(=O)OCOC(=O)OC(C)C
InChIInChI=1S/C11H21INO7P/c1-8(2)20-10(15)19-6-18-9(14)11(3,4)13-21(12,16)7-17-5/h8H,6-7H2,1-5H3,(H,13,16)
InChIKeyLBNMOIMECMIGME-UHFFFAOYSA-N
XLogP2.65
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.17
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yloxycarbonyloxymethyl 2-[[iodo(methoxymethyl)phosphoryl]amino]-2-methylpropanoate?
The IUPAC name of propan-2-yloxycarbonyloxymethyl 2-[[iodo(methoxymethyl)phosphoryl]amino]-2-methylpropanoate (CID 130323906) is propan-2-yloxycarbonyloxymethyl 2-[[iodo(methoxymethyl)phosphoryl]amino]-2-methylpropanoate.
What is the SMILES notation for propan-2-yloxycarbonyloxymethyl 2-[[iodo(methoxymethyl)phosphoryl]amino]-2-methylpropanoate?
The canonical SMILES for propan-2-yloxycarbonyloxymethyl 2-[[iodo(methoxymethyl)phosphoryl]amino]-2-methylpropanoate is COCP(=O)(I)NC(C)(C)C(=O)OCOC(=O)OC(C)C.
What is the InChIKey of propan-2-yloxycarbonyloxymethyl 2-[[iodo(methoxymethyl)phosphoryl]amino]-2-methylpropanoate?
The InChIKey is LBNMOIMECMIGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21INO7P/c1-8(2)20-10(15)19-6-18-9(14)11(3,4)13-21(12,16)7-17-5/h8H,6-7H2,1-5H3,(H,13,16).
What are the key properties of propan-2-yloxycarbonyloxymethyl 2-[[iodo(methoxymethyl)phosphoryl]amino]-2-methylpropanoate?
propan-2-yloxycarbonyloxymethyl 2-[[iodo(methoxymethyl)phosphoryl]amino]-2-methylpropanoate has a molecular weight of 437.17 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yloxycarbonyloxymethyl 2-[[iodo(methoxymethyl)phosphoryl]amino]-2-methylpropanoate is sourced from PubChem (CID 130323906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).