(2R)-2-(deuterioamino)-3-methyl-3-sulfanylbutanoic acid

C5H11NO2S — CID 20593829

IUPAC(2R)-2-(deuterioamino)-3-methyl-3-sulfanylbutanoic acid
SMILES[2H]N[C@H](C(=O)O)C(C)(C)S
InChIInChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1/i/hD
InChIKeyVVNCNSJFMMFHPL-ZAIADZKESA-N
MW150.22 g/mol
LogP0.11
Rot. Bonds3

About (2R)-2-(deuterioamino)-3-methyl-3-sulfanylbutanoic acid

(2R)-2-(deuterioamino)-3-methyl-3-sulfanylbutanoic acid (PubChem CID 20593829) has the molecular formula C5H11NO2S and a molecular weight of 150.22 g/mol. Its IUPAC name is (2R)-2-(deuterioamino)-3-methyl-3-sulfanylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-(deuterioamino)-3-methyl-3-sulfanylbutanoic acid
PubChem CID20593829
Molecular FormulaC5H11NO2S
Molecular Weight150.22 g/mol
Exact Mass150.06
IUPAC Name(2R)-2-(deuterioamino)-3-methyl-3-sulfanylbutanoic acid
SMILES[2H]N[C@H](C(=O)O)C(C)(C)S
InChIInChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1/i/hD
InChIKeyVVNCNSJFMMFHPL-ZAIADZKESA-N
XLogP0.11
TPSA63.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;manganese
CID 175737812
tetrakis((2S)-2-amino-3-methyl-3-sulfanylbutanoic acid);sulfane
CID 173050737
bis((2R)-2-amino-3-methyl-3-sulfanylbutanoic acid);mercury;sulfane
CID 173462825
(2S,3R)-2-amino-4,4,4-trideuterio-3-methyl-3-sulfanylbutanoic acid
CID 25240785
(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;trithiaselenetane
CID 88623637
(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;(2S)-2-amino-4-sulfanylbutanoic acid
CID 131699260
(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;(2S)-2-aminopentanedioic acid
CID 87642658
(2R)-2-[[(2R)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]-3-methyl-3-sulfanylbutanoic acid
CID 175691591
2-amino-2-sulfanylpropanoic acid
CID 22715625
(2S)-2-amino-3,3-dihydroxybutanoic acid
CID 144692818
trisodium;(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;2-hydroxypropane-1,2,3-tricarboxylate
CID 173103869
(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;imidazolidine-2,4-dione
CID 91622674

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(deuterioamino)-3-methyl-3-sulfanylbutanoic acid?
The IUPAC name of (2R)-2-(deuterioamino)-3-methyl-3-sulfanylbutanoic acid (CID 20593829) is (2R)-2-(deuterioamino)-3-methyl-3-sulfanylbutanoic acid.
What is the SMILES notation for (2R)-2-(deuterioamino)-3-methyl-3-sulfanylbutanoic acid?
The canonical SMILES for (2R)-2-(deuterioamino)-3-methyl-3-sulfanylbutanoic acid is [2H]N[C@H](C(=O)O)C(C)(C)S.
What is the InChIKey of (2R)-2-(deuterioamino)-3-methyl-3-sulfanylbutanoic acid?
The InChIKey is VVNCNSJFMMFHPL-ZAIADZKESA-N. The full InChI is InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1/i/hD.
What are the key properties of (2R)-2-(deuterioamino)-3-methyl-3-sulfanylbutanoic acid?
(2R)-2-(deuterioamino)-3-methyl-3-sulfanylbutanoic acid has a molecular weight of 150.22 g/mol, XLogP of 0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(deuterioamino)-3-methyl-3-sulfanylbutanoic acid is sourced from PubChem (CID 20593829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).