(2R)-2-(iodoamino)-3-sulfanylpropanoic acid

C3H6INO2S — CID 142742192

IUPAC(2R)-2-(iodoamino)-3-sulfanylpropanoic acid
SMILESO=C(O)[C@H](CS)NI
InChIInChI=1S/C3H6INO2S/c4-5-2(1-8)3(6)7/h2,5,8H,1H2,(H,6,7)/t2-/m0/s1
InChIKeyILKKQCSIQNPWEV-REOHCLBHSA-N
MW247.06 g/mol
LogP0.31
Rot. Bonds3

About (2R)-2-(iodoamino)-3-sulfanylpropanoic acid

(2R)-2-(iodoamino)-3-sulfanylpropanoic acid (PubChem CID 142742192) has the molecular formula C3H6INO2S and a molecular weight of 247.06 g/mol. Its IUPAC name is (2R)-2-(iodoamino)-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(iodoamino)-3-sulfanylpropanoic acid
PubChem CID142742192
Molecular FormulaC3H6INO2S
Molecular Weight247.06 g/mol
Exact Mass246.92
IUPAC Name(2R)-2-(iodoamino)-3-sulfanylpropanoic acid
SMILESO=C(O)[C@H](CS)NI
InChIInChI=1S/C3H6INO2S/c4-5-2(1-8)3(6)7/h2,5,8H,1H2,(H,6,7)/t2-/m0/s1
InChIKeyILKKQCSIQNPWEV-REOHCLBHSA-N
XLogP0.31
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 50.31
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(iodoamino)butanoic acid
CID 23443212
(2R)-2-(silylamino)-3-sulfanylpropanoic acid
CID 175735722
CID 175878020
CID 175878020
(2R)-2-[[[(1R)-1-carboxy-2-sulfanylethyl]amino]oxyamino]-3-sulfanylpropanoic acid
CID 166514845
(2R)-2-(boronoamino)-3-sulfanylpropanoic acid
CID 140750018
(2S)-2-(iodoamino)pentanoic acid
CID 175707899
(2S)-2-(2-oxohydrazinyl)-3-sulfanylpropanoic acid
CID 21157216
2-[[(1-carboxy-2-sulfanylethyl)amino]methyl]propanedioic acid
CID 87237898
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
(2R)-2-[(2-hydroxyacetyl)amino]-3-sulfanylpropanoic acid
CID 87097577
(2S)-2-(arsonoamino)-3-sulfanylpropanoic acid
CID 87762269
(2R)-2-(phosphonoamino)-3-sulfanylpropanoic acid
CID 54499104

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(iodoamino)-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-(iodoamino)-3-sulfanylpropanoic acid (CID 142742192) is (2R)-2-(iodoamino)-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-(iodoamino)-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-(iodoamino)-3-sulfanylpropanoic acid is O=C(O)[C@H](CS)NI.
What is the InChIKey of (2R)-2-(iodoamino)-3-sulfanylpropanoic acid?
The InChIKey is ILKKQCSIQNPWEV-REOHCLBHSA-N. The full InChI is InChI=1S/C3H6INO2S/c4-5-2(1-8)3(6)7/h2,5,8H,1H2,(H,6,7)/t2-/m0/s1.
What are the key properties of (2R)-2-(iodoamino)-3-sulfanylpropanoic acid?
(2R)-2-(iodoamino)-3-sulfanylpropanoic acid has a molecular weight of 247.06 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(iodoamino)-3-sulfanylpropanoic acid is sourced from PubChem (CID 142742192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).