2-amino-2-iodobutanoic acid

C4H8INO2 — CID 19595827

IUPAC2-amino-2-iodobutanoic acid
SMILESCCC(N)(I)C(=O)O
InChIInChI=1S/C4H8INO2/c1-2-4(5,6)3(7)8/h2,6H2,1H3,(H,7,8)
InChIKeyHGDNVWUVTRKBIM-UHFFFAOYSA-N
MW229.02 g/mol
LogP0.57
Rot. Bonds2

About 2-amino-2-iodobutanoic acid

2-amino-2-iodobutanoic acid (PubChem CID 19595827) has the molecular formula C4H8INO2 and a molecular weight of 229.02 g/mol. Its IUPAC name is 2-amino-2-iodobutanoic acid.

Molecular Properties

Compound Name2-amino-2-iodobutanoic acid
PubChem CID19595827
Molecular FormulaC4H8INO2
Molecular Weight229.02 g/mol
Exact Mass228.96
IUPAC Name2-amino-2-iodobutanoic acid
SMILESCCC(N)(I)C(=O)O
InChIInChI=1S/C4H8INO2/c1-2-4(5,6)3(7)8/h2,6H2,1H3,(H,7,8)
InChIKeyHGDNVWUVTRKBIM-UHFFFAOYSA-N
XLogP0.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.02
LogP ≤ 50.57
H-Bond Donors ≤ 52
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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Related Compounds

(2S)-2-amino-2-methylbutanoic acid
CID 6971276
2-amino-2-sulfanylbutanoic acid
CID 18369133
carbonic acid;3-ethylpentan-3-amine;methanol
CID 174474253
2,2,3,3,4,4-hexaaminohexanoic acid
CID 118047883
lithium;2-amino-2,3,3-trimethylpentanoic acid;hydride
CID 174387889
(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 91314303
(2S)-2-amino-2-ethyl-3-methylbutanoic acid
CID 54561958
(2S)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 143658078
2-amino-2-(dimethylamino)butanoic acid
CID 88610523
2,2,3,3-tetraethylbutanedioic acid
CID 23424098
sodium;2-amino-2-(hydroxymethyl)butanoic acid;hydride
CID 174202899
2-amino-2-ethyl-4-hydroxybutanoic acid
CID 20523504

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-iodobutanoic acid?
The IUPAC name of 2-amino-2-iodobutanoic acid (CID 19595827) is 2-amino-2-iodobutanoic acid.
What is the SMILES notation for 2-amino-2-iodobutanoic acid?
The canonical SMILES for 2-amino-2-iodobutanoic acid is CCC(N)(I)C(=O)O.
What is the InChIKey of 2-amino-2-iodobutanoic acid?
The InChIKey is HGDNVWUVTRKBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8INO2/c1-2-4(5,6)3(7)8/h2,6H2,1H3,(H,7,8).
What are the key properties of 2-amino-2-iodobutanoic acid?
2-amino-2-iodobutanoic acid has a molecular weight of 229.02 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-iodobutanoic acid is sourced from PubChem (CID 19595827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).