N-(2,3-dihydroxypropyl)-N-methylcarbamoyl iodide

C5H10INO3 — CID 154525602

IUPACN-(2,3-dihydroxypropyl)-N-methylcarbamoyl iodide
SMILESCN(CC(O)CO)C(=O)I
InChIInChI=1S/C5H10INO3/c1-7(5(6)10)2-4(9)3-8/h4,8-9H,2-3H2,1H3
InChIKeyKFWPBBPZIKCJJT-UHFFFAOYSA-N
MW259.04 g/mol
LogP-0.17
Rot. Bonds3

About N-(2,3-dihydroxypropyl)-N-methylcarbamoyl iodide

N-(2,3-dihydroxypropyl)-N-methylcarbamoyl iodide (PubChem CID 154525602) has the molecular formula C5H10INO3 and a molecular weight of 259.04 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-N-methylcarbamoyl iodide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-N-methylcarbamoyl iodide
PubChem CID154525602
Molecular FormulaC5H10INO3
Molecular Weight259.04 g/mol
Exact Mass258.97
IUPAC NameN-(2,3-dihydroxypropyl)-N-methylcarbamoyl iodide
SMILESCN(CC(O)CO)C(=O)I
InChIInChI=1S/C5H10INO3/c1-7(5(6)10)2-4(9)3-8/h4,8-9H,2-3H2,1H3
InChIKeyKFWPBBPZIKCJJT-UHFFFAOYSA-N
XLogP-0.17
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.04
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-N,5-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N,5-N-dimethylbenzene-1,3,5-tricarboxamide
CID 12940863
(2S)-N-(2,3-dihydroxypropyl)-N,3,3-trimethyl-2-propan-2-ylbutanamide
CID 87847856
(1S)-N-[(2S)-2,3-dihydroxypropyl]-N,2,2-trimethylcyclopropane-1-carboxamide
CID 136580888
2-[bis[2-[carboxymethyl-[2-[2,3-dihydroxypropyl(methyl)amino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 13453814
2-N,6-N-bis(2,3-dihydroxypropyl)-2-N,6-N-dimethylpyrazine-2,6-dicarboxamide
CID 22457886
1,2-dihydroxy-3-[methyl(sulfinato)amino]propane
CID 91491359
5-[2-[2,3-dihydroxypropyl(methyl)amino]-2-oxoethoxy]-2,4,6-triiodobenzene-1,3-dicarboxylic acid
CID 160687485
3,4-dihydroxy-N,N-dimethylbutanamide
CID 21025486
3-N,5-N-bis[(2R)-2,3-dihydroxypropyl]-2,4,6-triiodo-5-N-methylbenzene-1,3,5-tricarboxamide
CID 76966590
3-(2,3-dihydroxypropanoylamino)-N-(2,3-dihydroxypropyl)-N,2,4,5,6-pentamethylbenzamide
CID 143787605
methyl 2-[[2,3-dihydroxypropyl(methyl)carbamoyl]amino]-4-methylpentanoate
CID 22910160
3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodobenzoyl]-methylamino]-2-hydroxypropyl]amino]-2-hydroxypropyl]-5-[(2-hydroxyacetyl)amino]-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 59413937

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-N-methylcarbamoyl iodide?
The IUPAC name of N-(2,3-dihydroxypropyl)-N-methylcarbamoyl iodide (CID 154525602) is N-(2,3-dihydroxypropyl)-N-methylcarbamoyl iodide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-N-methylcarbamoyl iodide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-N-methylcarbamoyl iodide is CN(CC(O)CO)C(=O)I.
What is the InChIKey of N-(2,3-dihydroxypropyl)-N-methylcarbamoyl iodide?
The InChIKey is KFWPBBPZIKCJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10INO3/c1-7(5(6)10)2-4(9)3-8/h4,8-9H,2-3H2,1H3.
What are the key properties of N-(2,3-dihydroxypropyl)-N-methylcarbamoyl iodide?
N-(2,3-dihydroxypropyl)-N-methylcarbamoyl iodide has a molecular weight of 259.04 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-N-methylcarbamoyl iodide is sourced from PubChem (CID 154525602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).