(4S)-5-iodo-4-(methylamino)-5-oxopentanoic acid

C6H10INO3 — CID 118303517

IUPAC(4S)-5-iodo-4-(methylamino)-5-oxopentanoic acid
SMILESCN[C@@H](CCC(=O)O)C(=O)I
InChIInChI=1S/C6H10INO3/c1-8-4(6(7)11)2-3-5(9)10/h4,8H,2-3H2,1H3,(H,9,10)/t4-/m0/s1
InChIKeyAGDSQFVFJQGIIR-BYPYZUCNSA-N
MW271.05 g/mol
LogP0.40
Rot. Bonds5

About (4S)-5-iodo-4-(methylamino)-5-oxopentanoic acid

(4S)-5-iodo-4-(methylamino)-5-oxopentanoic acid (PubChem CID 118303517) has the molecular formula C6H10INO3 and a molecular weight of 271.05 g/mol. Its IUPAC name is (4S)-5-iodo-4-(methylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-5-iodo-4-(methylamino)-5-oxopentanoic acid
PubChem CID118303517
Molecular FormulaC6H10INO3
Molecular Weight271.05 g/mol
Exact Mass270.97
IUPAC Name(4S)-5-iodo-4-(methylamino)-5-oxopentanoic acid
SMILESCN[C@@H](CCC(=O)O)C(=O)I
InChIInChI=1S/C6H10INO3/c1-8-4(6(7)11)2-3-5(9)10/h4,8H,2-3H2,1H3,(H,9,10)/t4-/m0/s1
InChIKeyAGDSQFVFJQGIIR-BYPYZUCNSA-N
XLogP0.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.05
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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;6-methyl-4-(methylamino)-5-oxoheptanoic acid
CID 177135801
2-hydroxyacetaldehyde;2-(methylamino)pentanedioic acid
CID 143106959
(2S)-2-(methylamino)butanoyl iodide
CID 163605263
(4S)-4-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 58427308
(4S)-5-[2-[[(2S)-3-amino-2-(methylamino)propanoyl]amino]ethylamino]-4-(methylamino)-5-oxopentanoic acid;ethane
CID 144903460
5-[3-[[3-amino-2-(methylamino)propanoyl]amino]propylamino]-4-(methylamino)-5-oxopentanoic acid
CID 123412371
4-hydroxy-5-iodo-5-oxopentanoic acid
CID 90138235
(4R)-4-(methylamino)-5-oxo-5-[[2-oxo-2-(2-oxopropylamino)ethyl]amino]pentanoic acid
CID 168928235
5-(4-ethylphenyl)-4-(methylamino)-5-oxopentanoic acid
CID 82347772
(4R)-5-amino-4-methyl-5-oxopentanoic acid
CID 170269048
calcium;hydride;2-methylpentanedioic acid
CID 173414295
4-hydrazinyl-5-oxohexanoic acid
CID 88944319

Frequently Asked Questions

What is the IUPAC name of (4S)-5-iodo-4-(methylamino)-5-oxopentanoic acid?
The IUPAC name of (4S)-5-iodo-4-(methylamino)-5-oxopentanoic acid (CID 118303517) is (4S)-5-iodo-4-(methylamino)-5-oxopentanoic acid.
What is the SMILES notation for (4S)-5-iodo-4-(methylamino)-5-oxopentanoic acid?
The canonical SMILES for (4S)-5-iodo-4-(methylamino)-5-oxopentanoic acid is CN[C@@H](CCC(=O)O)C(=O)I.
What is the InChIKey of (4S)-5-iodo-4-(methylamino)-5-oxopentanoic acid?
The InChIKey is AGDSQFVFJQGIIR-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10INO3/c1-8-4(6(7)11)2-3-5(9)10/h4,8H,2-3H2,1H3,(H,9,10)/t4-/m0/s1.
What are the key properties of (4S)-5-iodo-4-(methylamino)-5-oxopentanoic acid?
(4S)-5-iodo-4-(methylamino)-5-oxopentanoic acid has a molecular weight of 271.05 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-iodo-4-(methylamino)-5-oxopentanoic acid is sourced from PubChem (CID 118303517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).