(2S)-2-amino-4-methylpentanoyl iodide

C6H12INO — CID 126568368

IUPAC(2S)-2-amino-4-methylpentanoyl iodide
SMILESCC(C)C[C@H](N)C(=O)I
InChIInChI=1S/C6H12INO/c1-4(2)3-5(8)6(7)9/h4-5H,3,8H2,1-2H3/t5-/m0/s1
InChIKeyVSVDJFAXLFHVMA-YFKPBYRVSA-N
MW241.07 g/mol
LogP1.32
Rot. Bonds3

About (2S)-2-amino-4-methylpentanoyl iodide

(2S)-2-amino-4-methylpentanoyl iodide (PubChem CID 126568368) has the molecular formula C6H12INO and a molecular weight of 241.07 g/mol. Its IUPAC name is (2S)-2-amino-4-methylpentanoyl iodide.

Molecular Properties

Compound Name(2S)-2-amino-4-methylpentanoyl iodide
PubChem CID126568368
Molecular FormulaC6H12INO
Molecular Weight241.07 g/mol
Exact Mass241.00
IUPAC Name(2S)-2-amino-4-methylpentanoyl iodide
SMILESCC(C)C[C@H](N)C(=O)I
InChIInChI=1S/C6H12INO/c1-4(2)3-5(8)6(7)9/h4-5H,3,8H2,1-2H3/t5-/m0/s1
InChIKeyVSVDJFAXLFHVMA-YFKPBYRVSA-N
XLogP1.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.07
LogP ≤ 51.32
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

(4S,7S)-4,7-diamino-2,9-dimethyldecane-5,6-dione
CID 57076326
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
2-amino-4-methylpentanoic acid;chromium
CID 88640601
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
CID 6369563
CID 6369563
2-amino-4-methylpentanoate
CID 157437742
(3S)-3-amino-1-hydroxy-5-methylhexan-2-one
CID 52947679
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319
(2S)-2-amino-4-methylpentanoate;iron(3+)
CID 172736256
(2S)-2-amino-4-methylpentanoic acid;oxovanadium
CID 175017880
bis((2S)-2-amino-4-methylpentanoic acid);bis((2S)-2-aminopropanoic acid)
CID 57354298

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methylpentanoyl iodide?
The IUPAC name of (2S)-2-amino-4-methylpentanoyl iodide (CID 126568368) is (2S)-2-amino-4-methylpentanoyl iodide.
What is the SMILES notation for (2S)-2-amino-4-methylpentanoyl iodide?
The canonical SMILES for (2S)-2-amino-4-methylpentanoyl iodide is CC(C)C[C@H](N)C(=O)I.
What is the InChIKey of (2S)-2-amino-4-methylpentanoyl iodide?
The InChIKey is VSVDJFAXLFHVMA-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12INO/c1-4(2)3-5(8)6(7)9/h4-5H,3,8H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-2-amino-4-methylpentanoyl iodide?
(2S)-2-amino-4-methylpentanoyl iodide has a molecular weight of 241.07 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methylpentanoyl iodide is sourced from PubChem (CID 126568368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).