iodomethyl N-(2,3-dihydroxypropyl)carbamate

C5H10INO4 — CID 121369802

IUPACiodomethyl N-(2,3-dihydroxypropyl)carbamate
SMILESO=C(NCC(O)CO)OCI
InChIInChI=1S/C5H10INO4/c6-3-11-5(10)7-1-4(9)2-8/h4,8-9H,1-3H2,(H,7,10)
InChIKeyFHCNVEZEDWVNLH-UHFFFAOYSA-N
MW275.04 g/mol
LogP-0.54
Rot. Bonds4

About iodomethyl N-(2,3-dihydroxypropyl)carbamate

iodomethyl N-(2,3-dihydroxypropyl)carbamate (PubChem CID 121369802) has the molecular formula C5H10INO4 and a molecular weight of 275.04 g/mol. Its IUPAC name is iodomethyl N-(2,3-dihydroxypropyl)carbamate.

Molecular Properties

Compound Nameiodomethyl N-(2,3-dihydroxypropyl)carbamate
PubChem CID121369802
Molecular FormulaC5H10INO4
Molecular Weight275.04 g/mol
Exact Mass274.97
IUPAC Nameiodomethyl N-(2,3-dihydroxypropyl)carbamate
SMILESO=C(NCC(O)CO)OCI
InChIInChI=1S/C5H10INO4/c6-3-11-5(10)7-1-4(9)2-8/h4,8-9H,1-3H2,(H,7,10)
InChIKeyFHCNVEZEDWVNLH-UHFFFAOYSA-N
XLogP-0.54
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.04
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodomethyl N-(2,3-dihydroxypropyl)carbamate?
The IUPAC name of iodomethyl N-(2,3-dihydroxypropyl)carbamate (CID 121369802) is iodomethyl N-(2,3-dihydroxypropyl)carbamate.
What is the SMILES notation for iodomethyl N-(2,3-dihydroxypropyl)carbamate?
The canonical SMILES for iodomethyl N-(2,3-dihydroxypropyl)carbamate is O=C(NCC(O)CO)OCI.
What is the InChIKey of iodomethyl N-(2,3-dihydroxypropyl)carbamate?
The InChIKey is FHCNVEZEDWVNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10INO4/c6-3-11-5(10)7-1-4(9)2-8/h4,8-9H,1-3H2,(H,7,10).
What are the key properties of iodomethyl N-(2,3-dihydroxypropyl)carbamate?
iodomethyl N-(2,3-dihydroxypropyl)carbamate has a molecular weight of 275.04 g/mol, XLogP of -0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethyl N-(2,3-dihydroxypropyl)carbamate is sourced from PubChem (CID 121369802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).