iodo 2-amino-3-methylbutanoate

C5H10INO2 — CID 76549706

IUPACiodo 2-amino-3-methylbutanoate
SMILESCC(C)C(N)C(=O)OI
InChIInChI=1S/C5H10INO2/c1-3(2)4(7)5(8)9-6/h3-4H,7H2,1-2H3
InChIKeyQOWWRYJZMYSROY-UHFFFAOYSA-N
MW243.04 g/mol
LogP0.86
Rot. Bonds2

About iodo 2-amino-3-methylbutanoate

iodo 2-amino-3-methylbutanoate (PubChem CID 76549706) has the molecular formula C5H10INO2 and a molecular weight of 243.04 g/mol. Its IUPAC name is iodo 2-amino-3-methylbutanoate.

Molecular Properties

Compound Nameiodo 2-amino-3-methylbutanoate
PubChem CID76549706
Molecular FormulaC5H10INO2
Molecular Weight243.04 g/mol
Exact Mass242.98
IUPAC Nameiodo 2-amino-3-methylbutanoate
SMILESCC(C)C(N)C(=O)OI
InChIInChI=1S/C5H10INO2/c1-3(2)4(7)5(8)9-6/h3-4H,7H2,1-2H3
InChIKeyQOWWRYJZMYSROY-UHFFFAOYSA-N
XLogP0.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.04
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

amino (2R)-2-amino-3-methylbutanoate
CID 135308017
1-iodoethyl 2-amino-3-methylbutanoate
CID 122533786
iodomethyl (2S)-2-amino-3-methylbutanoate
CID 141352500
methyl 2-amino-3-methylbutanoate chloride
CID 3083912
1-hydroxyethyl 2-amino-3-methylbutanoate
CID 87071351
3-iodopropyl (2R)-2-amino-3-methylbutanoate
CID 90070653
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
2-[(2S)-2-amino-3-methylbutanoyl]oxypropanoic acid
CID 54208799
2-methylpropanoyloxymethyl 2-amino-3-methylbutanoate
CID 156731483
(diaminomethylideneamino) (2S)-2-amino-3-methylbutanoate
CID 175062264
tert-butyl (2S)-2-amino-3-methylbutaneperoxoate
CID 175443890
(2S)-2-amino-3-methylbutanoic acid;silyloxysilane
CID 173116914

Frequently Asked Questions

What is the IUPAC name of iodo 2-amino-3-methylbutanoate?
The IUPAC name of iodo 2-amino-3-methylbutanoate (CID 76549706) is iodo 2-amino-3-methylbutanoate.
What is the SMILES notation for iodo 2-amino-3-methylbutanoate?
The canonical SMILES for iodo 2-amino-3-methylbutanoate is CC(C)C(N)C(=O)OI.
What is the InChIKey of iodo 2-amino-3-methylbutanoate?
The InChIKey is QOWWRYJZMYSROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10INO2/c1-3(2)4(7)5(8)9-6/h3-4H,7H2,1-2H3.
What are the key properties of iodo 2-amino-3-methylbutanoate?
iodo 2-amino-3-methylbutanoate has a molecular weight of 243.04 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodo 2-amino-3-methylbutanoate is sourced from PubChem (CID 76549706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).