(2R)-3-iodo-2-(3-methylbut-1-en-2-ylamino)propanamide

C8H15IN2O — CID 129046191

IUPAC(2R)-3-iodo-2-(3-methylbut-1-en-2-ylamino)propanamide
SMILESC=C(N[C@@H](CI)C(N)=O)C(C)C
InChIInChI=1S/C8H15IN2O/c1-5(2)6(3)11-7(4-9)8(10)12/h5,7,11H,3-4H2,1-2H3,(H2,10,12)/t7-/m0/s1
InChIKeySGEIWAUHXSSJEG-ZETCQYMHSA-N
MW282.13 g/mol
LogP1.03
Rot. Bonds5

About (2R)-3-iodo-2-(3-methylbut-1-en-2-ylamino)propanamide

(2R)-3-iodo-2-(3-methylbut-1-en-2-ylamino)propanamide (PubChem CID 129046191) has the molecular formula C8H15IN2O and a molecular weight of 282.13 g/mol. Its IUPAC name is (2R)-3-iodo-2-(3-methylbut-1-en-2-ylamino)propanamide.

Molecular Properties

Compound Name(2R)-3-iodo-2-(3-methylbut-1-en-2-ylamino)propanamide
PubChem CID129046191
Molecular FormulaC8H15IN2O
Molecular Weight282.13 g/mol
Exact Mass282.02
IUPAC Name(2R)-3-iodo-2-(3-methylbut-1-en-2-ylamino)propanamide
SMILESC=C(N[C@@H](CI)C(N)=O)C(C)C
InChIInChI=1S/C8H15IN2O/c1-5(2)6(3)11-7(4-9)8(10)12/h5,7,11H,3-4H2,1-2H3,(H2,10,12)/t7-/m0/s1
InChIKeySGEIWAUHXSSJEG-ZETCQYMHSA-N
XLogP1.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 51.03
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'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-iodo-2-(3-methylbut-1-en-2-ylamino)propanamide?
The IUPAC name of (2R)-3-iodo-2-(3-methylbut-1-en-2-ylamino)propanamide (CID 129046191) is (2R)-3-iodo-2-(3-methylbut-1-en-2-ylamino)propanamide.
What is the SMILES notation for (2R)-3-iodo-2-(3-methylbut-1-en-2-ylamino)propanamide?
The canonical SMILES for (2R)-3-iodo-2-(3-methylbut-1-en-2-ylamino)propanamide is C=C(N[C@@H](CI)C(N)=O)C(C)C.
What is the InChIKey of (2R)-3-iodo-2-(3-methylbut-1-en-2-ylamino)propanamide?
The InChIKey is SGEIWAUHXSSJEG-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15IN2O/c1-5(2)6(3)11-7(4-9)8(10)12/h5,7,11H,3-4H2,1-2H3,(H2,10,12)/t7-/m0/s1.
What are the key properties of (2R)-3-iodo-2-(3-methylbut-1-en-2-ylamino)propanamide?
(2R)-3-iodo-2-(3-methylbut-1-en-2-ylamino)propanamide has a molecular weight of 282.13 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-iodo-2-(3-methylbut-1-en-2-ylamino)propanamide is sourced from PubChem (CID 129046191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).