(2S)-2-amino-3-[bis(sulfanyl)amino]propanoic acid

C3H8N2O2S2 — CID 146014553

IUPAC(2S)-2-amino-3-[bis(sulfanyl)amino]propanoic acid
SMILESN[C@@H](CN(S)S)C(=O)O
InChIInChI=1S/C3H8N2O2S2/c4-2(3(6)7)1-5(8)9/h2,8-9H,1,4H2,(H,6,7)/t2-/m0/s1
InChIKeySWFWFCLDMNGBSA-REOHCLBHSA-N
MW168.24 g/mol
LogP-0.61
Rot. Bonds3

About (2S)-2-amino-3-[bis(sulfanyl)amino]propanoic acid

(2S)-2-amino-3-[bis(sulfanyl)amino]propanoic acid (PubChem CID 146014553) has the molecular formula C3H8N2O2S2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2S)-2-amino-3-[bis(sulfanyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[bis(sulfanyl)amino]propanoic acid
PubChem CID146014553
Molecular FormulaC3H8N2O2S2
Molecular Weight168.24 g/mol
Exact Mass168.00
IUPAC Name(2S)-2-amino-3-[bis(sulfanyl)amino]propanoic acid
SMILESN[C@@H](CN(S)S)C(=O)O
InChIInChI=1S/C3H8N2O2S2/c4-2(3(6)7)1-5(8)9/h2,8-9H,1,4H2,(H,6,7)/t2-/m0/s1
InChIKeySWFWFCLDMNGBSA-REOHCLBHSA-N
XLogP-0.61
TPSA66.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-(diethylamino)propanoic acid
CID 45082341
2-amino-3-[3-(diethylamino)propyl-ethylamino]propanoic acid
CID 102994758
(2S)-2-amino-3-[carbamoyl(hydroxy)amino]propanoic acid
CID 45122458
2-amino-3-[bis(2-sulfanylacetyl)amino]propanoic acid
CID 87991276
(2S)-2-amino-3-(dimethylamino)propanoic acid;hydrate;dihydrochloride
CID 90471472
(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 87266348
(2S)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 138731668
2-amino-3-sulfanylpropanoic acid
CID 21459566
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-3-sulfanylpropanoic acid chloride
CID 22609099
(2R)-2-amino-3-sulfanylpropanoic acid;iron
CID 87142909
(2S)-2-aminobutanedioic acid;molybdenum
CID 174753178

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[bis(sulfanyl)amino]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[bis(sulfanyl)amino]propanoic acid (CID 146014553) is (2S)-2-amino-3-[bis(sulfanyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[bis(sulfanyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[bis(sulfanyl)amino]propanoic acid is N[C@@H](CN(S)S)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[bis(sulfanyl)amino]propanoic acid?
The InChIKey is SWFWFCLDMNGBSA-REOHCLBHSA-N. The full InChI is InChI=1S/C3H8N2O2S2/c4-2(3(6)7)1-5(8)9/h2,8-9H,1,4H2,(H,6,7)/t2-/m0/s1.
What are the key properties of (2S)-2-amino-3-[bis(sulfanyl)amino]propanoic acid?
(2S)-2-amino-3-[bis(sulfanyl)amino]propanoic acid has a molecular weight of 168.24 g/mol, XLogP of -0.61, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[bis(sulfanyl)amino]propanoic acid is sourced from PubChem (CID 146014553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).