2-(dimethylamino)-2-iodopropanoic acid

C5H10INO2 — CID 87761406

IUPAC2-(dimethylamino)-2-iodopropanoic acid
SMILESCN(C)C(C)(I)C(=O)O
InChIInChI=1S/C5H10INO2/c1-5(6,4(8)9)7(2)3/h1-3H3,(H,8,9)
InChIKeyPVLGAZZWDFIEIA-UHFFFAOYSA-N
MW243.04 g/mol
LogP0.78
Rot. Bonds2

About 2-(dimethylamino)-2-iodopropanoic acid

2-(dimethylamino)-2-iodopropanoic acid (PubChem CID 87761406) has the molecular formula C5H10INO2 and a molecular weight of 243.04 g/mol. Its IUPAC name is 2-(dimethylamino)-2-iodopropanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2-iodopropanoic acid
PubChem CID87761406
Molecular FormulaC5H10INO2
Molecular Weight243.04 g/mol
Exact Mass242.98
IUPAC Name2-(dimethylamino)-2-iodopropanoic acid
SMILESCN(C)C(C)(I)C(=O)O
InChIInChI=1S/C5H10INO2/c1-5(6,4(8)9)7(2)3/h1-3H3,(H,8,9)
InChIKeyPVLGAZZWDFIEIA-UHFFFAOYSA-N
XLogP0.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.04
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-iodopropanoic acid?
The IUPAC name of 2-(dimethylamino)-2-iodopropanoic acid (CID 87761406) is 2-(dimethylamino)-2-iodopropanoic acid.
What is the SMILES notation for 2-(dimethylamino)-2-iodopropanoic acid?
The canonical SMILES for 2-(dimethylamino)-2-iodopropanoic acid is CN(C)C(C)(I)C(=O)O.
What is the InChIKey of 2-(dimethylamino)-2-iodopropanoic acid?
The InChIKey is PVLGAZZWDFIEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10INO2/c1-5(6,4(8)9)7(2)3/h1-3H3,(H,8,9).
What are the key properties of 2-(dimethylamino)-2-iodopropanoic acid?
2-(dimethylamino)-2-iodopropanoic acid has a molecular weight of 243.04 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-iodopropanoic acid is sourced from PubChem (CID 87761406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).