(2S,3S)-2-amino-3-[(Z)-2-aminoethenyl]sulfanylbutanoic acid

C6H12N2O2S — CID 87096037

IUPAC(2S,3S)-2-amino-3-[(Z)-2-aminoethenyl]sulfanylbutanoic acid
SMILESC[C@H](S/C=C\N)[C@@H](N)C(=O)O
InChIInChI=1S/C6H12N2O2S/c1-4(11-3-2-7)5(8)6(9)10/h2-5H,7-8H2,1H3,(H,9,10)/b3-2-/t4-,5+/m0/s1
InChIKeyKOERMNWVOQFBST-IBURBRGDSA-N
MW176.24 g/mol
LogP-0.05
Rot. Bonds4

About (2S,3S)-2-amino-3-[(Z)-2-aminoethenyl]sulfanylbutanoic acid

(2S,3S)-2-amino-3-[(Z)-2-aminoethenyl]sulfanylbutanoic acid (PubChem CID 87096037) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-[(Z)-2-aminoethenyl]sulfanylbutanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-[(Z)-2-aminoethenyl]sulfanylbutanoic acid
PubChem CID87096037
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC Name(2S,3S)-2-amino-3-[(Z)-2-aminoethenyl]sulfanylbutanoic acid
SMILESC[C@H](S/C=C\N)[C@@H](N)C(=O)O
InChIInChI=1S/C6H12N2O2S/c1-4(11-3-2-7)5(8)6(9)10/h2-5H,7-8H2,1H3,(H,9,10)/b3-2-/t4-,5+/m0/s1
InChIKeyKOERMNWVOQFBST-IBURBRGDSA-N
XLogP-0.05
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(2-aminoethenylsulfanyl)butanoic acid
CID 149432277
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
(2R,3R)-2,3-diaminobutanoic acid;dihydrochloride
CID 71463685
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
(2R,3S)-2,3-diaminobutanoic acid;dihydrochloride
CID 15941603
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
2-amino-3-methylbutanedioic acid
CID 852
silver 2-amino-3-methylbutanoic acid
CID 19021116
2,3-diaminobutanoic acid;hydrobromide
CID 84819421
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
(2S)-2-amino-3-methylbutanoic acid;formic acid
CID 160949818

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-[(Z)-2-aminoethenyl]sulfanylbutanoic acid?
The IUPAC name of (2S,3S)-2-amino-3-[(Z)-2-aminoethenyl]sulfanylbutanoic acid (CID 87096037) is (2S,3S)-2-amino-3-[(Z)-2-aminoethenyl]sulfanylbutanoic acid.
What is the SMILES notation for (2S,3S)-2-amino-3-[(Z)-2-aminoethenyl]sulfanylbutanoic acid?
The canonical SMILES for (2S,3S)-2-amino-3-[(Z)-2-aminoethenyl]sulfanylbutanoic acid is C[C@H](S/C=C\N)[C@@H](N)C(=O)O.
What is the InChIKey of (2S,3S)-2-amino-3-[(Z)-2-aminoethenyl]sulfanylbutanoic acid?
The InChIKey is KOERMNWVOQFBST-IBURBRGDSA-N. The full InChI is InChI=1S/C6H12N2O2S/c1-4(11-3-2-7)5(8)6(9)10/h2-5H,7-8H2,1H3,(H,9,10)/b3-2-/t4-,5+/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-[(Z)-2-aminoethenyl]sulfanylbutanoic acid?
(2S,3S)-2-amino-3-[(Z)-2-aminoethenyl]sulfanylbutanoic acid has a molecular weight of 176.24 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-[(Z)-2-aminoethenyl]sulfanylbutanoic acid is sourced from PubChem (CID 87096037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).