(2S,3R)-3-hydroxy-2-(iodoamino)butanamide

C4H9IN2O2 — CID 89200284

IUPAC(2S,3R)-3-hydroxy-2-(iodoamino)butanamide
SMILESC[C@@H](O)[C@H](NI)C(N)=O
InChIInChI=1S/C4H9IN2O2/c1-2(8)3(7-5)4(6)9/h2-3,7-8H,1H3,(H2,6,9)/t2-,3+/m1/s1
InChIKeyINDRPMONSGHHBH-GBXIJSLDSA-N
MW244.03 g/mol
LogP-0.84
Rot. Bonds3

About (2S,3R)-3-hydroxy-2-(iodoamino)butanamide

(2S,3R)-3-hydroxy-2-(iodoamino)butanamide (PubChem CID 89200284) has the molecular formula C4H9IN2O2 and a molecular weight of 244.03 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-(iodoamino)butanamide.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-(iodoamino)butanamide
PubChem CID89200284
Molecular FormulaC4H9IN2O2
Molecular Weight244.03 g/mol
Exact Mass243.97
IUPAC Name(2S,3R)-3-hydroxy-2-(iodoamino)butanamide
SMILESC[C@@H](O)[C@H](NI)C(N)=O
InChIInChI=1S/C4H9IN2O2/c1-2(8)3(7-5)4(6)9/h2-3,7-8H,1H3,(H2,6,9)/t2-,3+/m1/s1
InChIKeyINDRPMONSGHHBH-GBXIJSLDSA-N
XLogP-0.84
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.03
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamic acid
CID 118589539
3-methyl-2-(sulfanylamino)butanamide
CID 166473642
3-hydroxy-2-iodobutanamide
CID 163523876
(3R)-3-hydroxy-2-methylbutanamide
CID 134245367
(2S,3R)-2-(carbamoylamino)-3-hydroxybutanoate
CID 7023135
(2S)-3-methyl-2-(methylamino)butanamide;hydrochloride
CID 87874249
(2R,3S)-2-amino-3-hydroxybutanamide
CID 22877840
3-ethyl-2-(methylamino)pentanamide
CID 61318910
(2R)-2-acetamido-3-methylbutanamide
CID 40561650
methyl (2S,3R)-3-hydroxy-2-(methylamino)butanoate
CID 11615188
dimethylphosphane;2-hydroxypropanamide
CID 174842276
2-fluoro-3-hydroxybutanamide
CID 152681723

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-(iodoamino)butanamide?
The IUPAC name of (2S,3R)-3-hydroxy-2-(iodoamino)butanamide (CID 89200284) is (2S,3R)-3-hydroxy-2-(iodoamino)butanamide.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-(iodoamino)butanamide?
The canonical SMILES for (2S,3R)-3-hydroxy-2-(iodoamino)butanamide is C[C@@H](O)[C@H](NI)C(N)=O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-(iodoamino)butanamide?
The InChIKey is INDRPMONSGHHBH-GBXIJSLDSA-N. The full InChI is InChI=1S/C4H9IN2O2/c1-2(8)3(7-5)4(6)9/h2-3,7-8H,1H3,(H2,6,9)/t2-,3+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-(iodoamino)butanamide?
(2S,3R)-3-hydroxy-2-(iodoamino)butanamide has a molecular weight of 244.03 g/mol, XLogP of -0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-(iodoamino)butanamide is sourced from PubChem (CID 89200284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).