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

C3H9NO2SSi — CID 175735722

IUPAC(2R)-2-(silylamino)-3-sulfanylpropanoic acid
SMILESO=C(O)[C@H](CS)N[SiH3]
InChIInChI=1S/C3H9NO2SSi/c5-3(6)2(1-7)4-8/h2,4,7H,1H2,8H3,(H,5,6)/t2-/m0/s1
InChIKeyMWRREMSXGSEJNI-REOHCLBHSA-N
MW151.26 g/mol
LogP-1.76
Rot. Bonds3

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

(2R)-2-(silylamino)-3-sulfanylpropanoic acid (PubChem CID 175735722) has the molecular formula C3H9NO2SSi and a molecular weight of 151.26 g/mol. Its IUPAC name is (2R)-2-(silylamino)-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(silylamino)-3-sulfanylpropanoic acid
PubChem CID175735722
Molecular FormulaC3H9NO2SSi
Molecular Weight151.26 g/mol
Exact Mass151.01
IUPAC Name(2R)-2-(silylamino)-3-sulfanylpropanoic acid
SMILESO=C(O)[C@H](CS)N[SiH3]
InChIInChI=1S/C3H9NO2SSi/c5-3(6)2(1-7)4-8/h2,4,7H,1H2,8H3,(H,5,6)/t2-/m0/s1
InChIKeyMWRREMSXGSEJNI-REOHCLBHSA-N
XLogP-1.76
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.26
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
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-(iodoamino)-3-sulfanylpropanoic acid
CID 142742192
(2S)-2-(ethenylamino)-3-sulfanylpropanoic acid
CID 87115082
(2R)-2-[[[(1R)-1-carboxy-2-sulfanylethyl]amino]oxyamino]-3-sulfanylpropanoic acid
CID 166514845
(2R)-2-(boronoamino)-3-sulfanylpropanoic acid
CID 140750018
(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
(2S)-2-[2-[(1R)-1-carboxy-2-sulfanylethyl]hydrazinyl]-4-sulfanylbutanoic acid
CID 175742522
(2R)-2-(phosphonoamino)-3-sulfanylpropanoic acid
CID 54499104
(2S)-2-(arsonoamino)-3-sulfanylpropanoic acid
CID 87762269
(2R)-2-[(2-hydroxyacetyl)amino]-3-sulfanylpropanoic acid
CID 87097577
2-acetamido-3-sulfanylpropanoic acid;azane
CID 14369897

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(silylamino)-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-(silylamino)-3-sulfanylpropanoic acid (CID 175735722) is (2R)-2-(silylamino)-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-(silylamino)-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-(silylamino)-3-sulfanylpropanoic acid is O=C(O)[C@H](CS)N[SiH3].
What is the InChIKey of (2R)-2-(silylamino)-3-sulfanylpropanoic acid?
The InChIKey is MWRREMSXGSEJNI-REOHCLBHSA-N. The full InChI is InChI=1S/C3H9NO2SSi/c5-3(6)2(1-7)4-8/h2,4,7H,1H2,8H3,(H,5,6)/t2-/m0/s1.
What are the key properties of (2R)-2-(silylamino)-3-sulfanylpropanoic acid?
(2R)-2-(silylamino)-3-sulfanylpropanoic acid has a molecular weight of 151.26 g/mol, XLogP of -1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(silylamino)-3-sulfanylpropanoic acid is sourced from PubChem (CID 175735722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).