(2S)-2-(methylamino)propanoyl iodide

C4H8INO — CID 118312739

IUPAC(2S)-2-(methylamino)propanoyl iodide
SMILESCN[C@@H](C)C(=O)I
InChIInChI=1S/C4H8INO/c1-3(6-2)4(5)7/h3,6H,1-2H3/t3-/m0/s1
InChIKeyZVXLDYGYGCUQLB-VKHMYHEASA-N
MW213.02 g/mol
LogP0.56
Rot. Bonds2

About (2S)-2-(methylamino)propanoyl iodide

(2S)-2-(methylamino)propanoyl iodide (PubChem CID 118312739) has the molecular formula C4H8INO and a molecular weight of 213.02 g/mol. Its IUPAC name is (2S)-2-(methylamino)propanoyl iodide.

Molecular Properties

Compound Name(2S)-2-(methylamino)propanoyl iodide
PubChem CID118312739
Molecular FormulaC4H8INO
Molecular Weight213.02 g/mol
Exact Mass212.97
IUPAC Name(2S)-2-(methylamino)propanoyl iodide
SMILESCN[C@@H](C)C(=O)I
InChIInChI=1S/C4H8INO/c1-3(6-2)4(5)7/h3,6H,1-2H3/t3-/m0/s1
InChIKeyZVXLDYGYGCUQLB-VKHMYHEASA-N
XLogP0.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.02
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-hydrazinylpropanoyl iodide
CID 165009318
(2S)-2-[[(2S)-3-methyl-2-(methylamino)butanoyl]amino]propanoyl iodide
CID 155401923
(2S)-2-acetamidopropanoyl iodide
CID 126569176
(2R)-2-(methylamino)propanethioic S-acid
CID 141057590
2-(methylamino)propanamide;hydrochloride
CID 71433439
amino (2S)-2-(methylamino)propanoate
CID 23546966
(2S)-2-(methylamino)butanoyl iodide
CID 163605263
(4S)-2,2-dimethyl-4-(methylamino)pentan-3-one;sulfane
CID 160564575
2-chloropropanoyl iodide
CID 19748093
N-carbamoyl-2-(methylamino)propanamide
CID 43086023
4-methyl-2-(methylamino)hexan-3-one
CID 116564888
(2R)-2-(methylamino)-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]propanamide
CID 94523923

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)propanoyl iodide?
The IUPAC name of (2S)-2-(methylamino)propanoyl iodide (CID 118312739) is (2S)-2-(methylamino)propanoyl iodide.
What is the SMILES notation for (2S)-2-(methylamino)propanoyl iodide?
The canonical SMILES for (2S)-2-(methylamino)propanoyl iodide is CN[C@@H](C)C(=O)I.
What is the InChIKey of (2S)-2-(methylamino)propanoyl iodide?
The InChIKey is ZVXLDYGYGCUQLB-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8INO/c1-3(6-2)4(5)7/h3,6H,1-2H3/t3-/m0/s1.
What are the key properties of (2S)-2-(methylamino)propanoyl iodide?
(2S)-2-(methylamino)propanoyl iodide has a molecular weight of 213.02 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)propanoyl iodide is sourced from PubChem (CID 118312739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).