(2S)-2-(arsonoamino)-3-sulfanylpropanoic acid

C3H8AsNO5S — CID 87762269

IUPAC(2S)-2-(arsonoamino)-3-sulfanylpropanoic acid
SMILESO=C(O)[C@@H](CS)N[As](=O)(O)O
InChIInChI=1S/C3H8AsNO5S/c6-3(7)2(1-11)5-4(8,9)10/h2,11H,1H2,(H,6,7)(H3,5,8,9,10)/t2-/m1/s1
InChIKeyAYTDXMVLOWLDRV-UWTATZPHSA-N
MW245.09 g/mol
LogP-2.19
Rot. Bonds4

About (2S)-2-(arsonoamino)-3-sulfanylpropanoic acid

(2S)-2-(arsonoamino)-3-sulfanylpropanoic acid (PubChem CID 87762269) has the molecular formula C3H8AsNO5S and a molecular weight of 245.09 g/mol. Its IUPAC name is (2S)-2-(arsonoamino)-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-(arsonoamino)-3-sulfanylpropanoic acid
PubChem CID87762269
Molecular FormulaC3H8AsNO5S
Molecular Weight245.09 g/mol
Exact Mass244.93
IUPAC Name(2S)-2-(arsonoamino)-3-sulfanylpropanoic acid
SMILESO=C(O)[C@@H](CS)N[As](=O)(O)O
InChIInChI=1S/C3H8AsNO5S/c6-3(7)2(1-11)5-4(8,9)10/h2,11H,1H2,(H,6,7)(H3,5,8,9,10)/t2-/m1/s1
InChIKeyAYTDXMVLOWLDRV-UWTATZPHSA-N
XLogP-2.19
TPSA106.86 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 5-2.19
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(boronoamino)-3-sulfanylpropanoic acid
CID 140750018
(2R)-2-(silylamino)-3-sulfanylpropanoic acid
CID 175735722
(2R)-2-(iodoamino)-3-sulfanylpropanoic acid
CID 142742192
(2R)-2-[[[(1R)-1-carboxy-2-sulfanylethyl]amino]oxyamino]-3-sulfanylpropanoic acid
CID 166514845
2-[(2-aminoacetyl)amino]-3-sulfanylpropanoic acid
CID 22342009
(2S)-2-(2-oxohydrazinyl)-3-sulfanylpropanoic acid
CID 21157216
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
2-[[(1-carboxy-2-sulfanylethyl)amino]methyl]propanedioic acid
CID 87237898
(2R)-2-[(2-hydroxyacetyl)amino]-3-sulfanylpropanoic acid
CID 87097577
(2S)-2-[2-[(1R)-1-carboxy-2-sulfanylethyl]hydrazinyl]-4-sulfanylbutanoic acid
CID 175742522
(2R)-2-(phosphonoamino)-3-sulfanylpropanoic acid
CID 54499104
(2S)-2-(ethenylamino)-3-sulfanylpropanoic acid
CID 87115082

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(arsonoamino)-3-sulfanylpropanoic acid?
The IUPAC name of (2S)-2-(arsonoamino)-3-sulfanylpropanoic acid (CID 87762269) is (2S)-2-(arsonoamino)-3-sulfanylpropanoic acid.
What is the SMILES notation for (2S)-2-(arsonoamino)-3-sulfanylpropanoic acid?
The canonical SMILES for (2S)-2-(arsonoamino)-3-sulfanylpropanoic acid is O=C(O)[C@@H](CS)N[As](=O)(O)O.
What is the InChIKey of (2S)-2-(arsonoamino)-3-sulfanylpropanoic acid?
The InChIKey is AYTDXMVLOWLDRV-UWTATZPHSA-N. The full InChI is InChI=1S/C3H8AsNO5S/c6-3(7)2(1-11)5-4(8,9)10/h2,11H,1H2,(H,6,7)(H3,5,8,9,10)/t2-/m1/s1.
What are the key properties of (2S)-2-(arsonoamino)-3-sulfanylpropanoic acid?
(2S)-2-(arsonoamino)-3-sulfanylpropanoic acid has a molecular weight of 245.09 g/mol, XLogP of -2.19, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(arsonoamino)-3-sulfanylpropanoic acid is sourced from PubChem (CID 87762269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).