(2S)-2-(methylamino)butanoyl iodide

C5H10INO — CID 163605263

IUPAC(2S)-2-(methylamino)butanoyl iodide
SMILESCC[C@H](NC)C(=O)I
InChIInChI=1S/C5H10INO/c1-3-4(7-2)5(6)8/h4,7H,3H2,1-2H3/t4-/m0/s1
InChIKeyHBFDASRYRNVSQZ-BYPYZUCNSA-N
MW227.04 g/mol
LogP0.95
Rot. Bonds3

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

(2S)-2-(methylamino)butanoyl iodide (PubChem CID 163605263) has the molecular formula C5H10INO and a molecular weight of 227.04 g/mol. Its IUPAC name is (2S)-2-(methylamino)butanoyl iodide.

Molecular Properties

Compound Name(2S)-2-(methylamino)butanoyl iodide
PubChem CID163605263
Molecular FormulaC5H10INO
Molecular Weight227.04 g/mol
Exact Mass226.98
IUPAC Name(2S)-2-(methylamino)butanoyl iodide
SMILESCC[C@H](NC)C(=O)I
InChIInChI=1S/C5H10INO/c1-3-4(7-2)5(6)8/h4,7H,3H2,1-2H3/t4-/m0/s1
InChIKeyHBFDASRYRNVSQZ-BYPYZUCNSA-N
XLogP0.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.04
LogP ≤ 50.95
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

ethane;2-(methylamino)butanoic acid
CID 91558033
(4S)-5-iodo-4-(methylamino)-5-oxopentanoic acid
CID 118303517
amino 2-(methylamino)butanoate
CID 89108976
(Z)-5-(methylamino)hept-2-en-4-one
CID 123783043
(2R)-3-(4-chlorophenyl)-2-(methylamino)propanoyl iodide
CID 143607004
(2R,4S)-4-methyl-2-(methylamino)hexanoic acid
CID 59874884
2-(iodoamino)butanoic acid
CID 23443212
(3S)-3-(iodoamino)pentan-2-one
CID 90142832
(2S)-2-(methylamino)propanoyl iodide
CID 118312739
(2R)-2-(methylamino)pentanoic acid
CID 15677248
4-methyl-2-(methylamino)hexan-3-one
CID 116564888
N-methyl-4-methylideneheptan-3-amine
CID 166854127

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)butanoyl iodide?
The IUPAC name of (2S)-2-(methylamino)butanoyl iodide (CID 163605263) is (2S)-2-(methylamino)butanoyl iodide.
What is the SMILES notation for (2S)-2-(methylamino)butanoyl iodide?
The canonical SMILES for (2S)-2-(methylamino)butanoyl iodide is CC[C@H](NC)C(=O)I.
What is the InChIKey of (2S)-2-(methylamino)butanoyl iodide?
The InChIKey is HBFDASRYRNVSQZ-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10INO/c1-3-4(7-2)5(6)8/h4,7H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of (2S)-2-(methylamino)butanoyl iodide?
(2S)-2-(methylamino)butanoyl iodide has a molecular weight of 227.04 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)butanoyl iodide is sourced from PubChem (CID 163605263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).