methyl 2-iodo-3-[(2-methyloxolane-3-carbonyl)amino]propanoate

C10H16INO4 — CID 103493206

IUPACmethyl 2-iodo-3-[(2-methyloxolane-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(I)CNC(=O)C1CCOC1C
InChIInChI=1S/C10H16INO4/c1-6-7(3-4-16-6)9(13)12-5-8(11)10(14)15-2/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyBQXAURKJQKGTBU-UHFFFAOYSA-N
MW341.15 g/mol
LogP0.50
Rot. Bonds4

About methyl 2-iodo-3-[(2-methyloxolane-3-carbonyl)amino]propanoate

methyl 2-iodo-3-[(2-methyloxolane-3-carbonyl)amino]propanoate (PubChem CID 103493206) has the molecular formula C10H16INO4 and a molecular weight of 341.15 g/mol. Its IUPAC name is methyl 2-iodo-3-[(2-methyloxolane-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-iodo-3-[(2-methyloxolane-3-carbonyl)amino]propanoate
PubChem CID103493206
Molecular FormulaC10H16INO4
Molecular Weight341.15 g/mol
Exact Mass341.01
IUPAC Namemethyl 2-iodo-3-[(2-methyloxolane-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(I)CNC(=O)C1CCOC1C
InChIInChI=1S/C10H16INO4/c1-6-7(3-4-16-6)9(13)12-5-8(11)10(14)15-2/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyBQXAURKJQKGTBU-UHFFFAOYSA-N
XLogP0.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 50.50
H-Bond Donors ≤ 51
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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Related Compounds

2-oxo-N-pentyloxolane-3-carboxamide
CID 56935691
2-methyl-N-propan-2-yloxolane-3-carboxamide
CID 79758681
Methyl 3-(oxolane-3-carbonylamino)propanoate
CID 61295159
Ethyl 3-(oxolane-3-carbonylamino)propanoate
CID 61897384
Ethyl 4-(oxolane-3-carbonylamino)butanoate
CID 61899057
2-Methyl-3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoic acid
CID 65157233
3-[(2,4,5-Trimethyloxolane-3-carbonyl)amino]propanoic acid
CID 65157317
Methyl 3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoate
CID 65160151
Ethyl 3-[(2,4,5-trimethyloxolane-3-carbonyl)amino]propanoate
CID 65160401
Ethyl 4-[(2,4,5-trimethyloxolane-3-carbonyl)amino]butanoate
CID 65160449
2-[[(2,4,5-Trimethyloxolane-3-carbonyl)amino]methyl]pentanoic acid
CID 65219061
2-[[(2,4,5-Trimethyloxolane-3-carbonyl)amino]methyl]butanoic acid
CID 65219753

Frequently Asked Questions

What is the IUPAC name of methyl 2-iodo-3-[(2-methyloxolane-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-iodo-3-[(2-methyloxolane-3-carbonyl)amino]propanoate (CID 103493206) is methyl 2-iodo-3-[(2-methyloxolane-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-iodo-3-[(2-methyloxolane-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-iodo-3-[(2-methyloxolane-3-carbonyl)amino]propanoate is COC(=O)C(I)CNC(=O)C1CCOC1C.
What is the InChIKey of methyl 2-iodo-3-[(2-methyloxolane-3-carbonyl)amino]propanoate?
The InChIKey is BQXAURKJQKGTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16INO4/c1-6-7(3-4-16-6)9(13)12-5-8(11)10(14)15-2/h6-8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of methyl 2-iodo-3-[(2-methyloxolane-3-carbonyl)amino]propanoate?
methyl 2-iodo-3-[(2-methyloxolane-3-carbonyl)amino]propanoate has a molecular weight of 341.15 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-iodo-3-[(2-methyloxolane-3-carbonyl)amino]propanoate is sourced from PubChem (CID 103493206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).