(3S)-3-amino-3-hydroxypropanoyl iodide

C3H6INO2 — CID 167105625

IUPAC(3S)-3-amino-3-hydroxypropanoyl iodide
SMILESN[C@@H](O)CC(=O)I
InChIInChI=1S/C3H6INO2/c4-2(6)1-3(5)7/h3,7H,1,5H2/t3-/m0/s1
InChIKeyKLDLGTAJJSWUQB-VKHMYHEASA-N
MW214.99 g/mol
LogP-0.38
Rot. Bonds2

About (3S)-3-amino-3-hydroxypropanoyl iodide

(3S)-3-amino-3-hydroxypropanoyl iodide (PubChem CID 167105625) has the molecular formula C3H6INO2 and a molecular weight of 214.99 g/mol. Its IUPAC name is (3S)-3-amino-3-hydroxypropanoyl iodide.

Molecular Properties

Compound Name(3S)-3-amino-3-hydroxypropanoyl iodide
PubChem CID167105625
Molecular FormulaC3H6INO2
Molecular Weight214.99 g/mol
Exact Mass214.94
IUPAC Name(3S)-3-amino-3-hydroxypropanoyl iodide
SMILESN[C@@H](O)CC(=O)I
InChIInChI=1S/C3H6INO2/c4-2(6)1-3(5)7/h3,7H,1,5H2/t3-/m0/s1
InChIKeyKLDLGTAJJSWUQB-VKHMYHEASA-N
XLogP-0.38
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.99
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-hydroxypropanoyl iodide
CID 163713286
(3R)-3-amino-4-oxopentanoyl iodide
CID 154979950
methyl 3-amino-3-hydroxypropanoate;hydrochloride
CID 87417987
3-chlorobutanoyl iodide
CID 89108829
(2S)-2-amino-3-[(3R)-3-amino-3-hydroxypropanoyl]oxypropanoic acid
CID 91534703
N-(2-amino-2-hydroxyethyl)-2-hydroxyacetamide
CID 146429713
(1R)-1-aminoethane-1,2-diol
CID 140649256
4-amino-4-hydroxybutanoic acid;palladium
CID 87204989
1-amino-2-silylethanol
CID 173493084
1-O-(carboniodidoyloxymethyl) 5-O-(3-iodopropyl) (3S)-3-aminopentanedioate
CID 90397691
2,2-dicyanoacetyl iodide
CID 147449258
(2S)-2-amino-4-methylpentanoyl iodide
CID 126568368

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-hydroxypropanoyl iodide?
The IUPAC name of (3S)-3-amino-3-hydroxypropanoyl iodide (CID 167105625) is (3S)-3-amino-3-hydroxypropanoyl iodide.
What is the SMILES notation for (3S)-3-amino-3-hydroxypropanoyl iodide?
The canonical SMILES for (3S)-3-amino-3-hydroxypropanoyl iodide is N[C@@H](O)CC(=O)I.
What is the InChIKey of (3S)-3-amino-3-hydroxypropanoyl iodide?
The InChIKey is KLDLGTAJJSWUQB-VKHMYHEASA-N. The full InChI is InChI=1S/C3H6INO2/c4-2(6)1-3(5)7/h3,7H,1,5H2/t3-/m0/s1.
What are the key properties of (3S)-3-amino-3-hydroxypropanoyl iodide?
(3S)-3-amino-3-hydroxypropanoyl iodide has a molecular weight of 214.99 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-hydroxypropanoyl iodide is sourced from PubChem (CID 167105625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).