(2R)-2-amino-3-(trisulfanyl)propanoic acid

C3H7NO2S3 — CID 137350062

IUPAC(2R)-2-amino-3-(trisulfanyl)propanoic acid
SMILESN[C@@H](CSSS)C(=O)O
InChIInChI=1S/C3H7NO2S3/c4-2(3(5)6)1-8-9-7/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyWBUQYANSBCOQMP-REOHCLBHSA-N
MW185.29 g/mol
LogP0.62
Rot. Bonds4

About (2R)-2-amino-3-(trisulfanyl)propanoic acid

(2R)-2-amino-3-(trisulfanyl)propanoic acid (PubChem CID 137350062) has the molecular formula C3H7NO2S3 and a molecular weight of 185.29 g/mol. Its IUPAC name is (2R)-2-amino-3-(trisulfanyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(trisulfanyl)propanoic acid
PubChem CID137350062
Molecular FormulaC3H7NO2S3
Molecular Weight185.29 g/mol
Exact Mass184.96
IUPAC Name(2R)-2-amino-3-(trisulfanyl)propanoic acid
SMILESN[C@@H](CSSS)C(=O)O
InChIInChI=1S/C3H7NO2S3/c4-2(3(5)6)1-8-9-7/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyWBUQYANSBCOQMP-REOHCLBHSA-N
XLogP0.62
TPSA63.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-3-[[(2S)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;cadmium
CID 167531179
CID 87090924
CID 87090924
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;selane
CID 174366423
disodium;(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;hydride
CID 173044539
2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydrate;dihydrochloride
CID 175225773
dilithium;2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydride
CID 173165305
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;hydrate;hydrochloride
CID 57364743
(2R)-2-amino-3-[[(2S,3S)-2,3-dihydroxy-4-sulfanylbutyl]disulfanyl]propanoic acid
CID 137348538
2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;(2S,3S)-1,4-bis(sulfanyl)butane-2,3-diol
CID 87643677
CID 122387822
CID 122387822
(2R)-2-amino-3-[[(2S)-2-amino-3-chloro-3-oxopropyl]disulfanyl]propanoic acid
CID 142758437
(2S)-2-amino-3-(ethyldisulfanyl)propanoic acid
CID 46186615

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(trisulfanyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(trisulfanyl)propanoic acid (CID 137350062) is (2R)-2-amino-3-(trisulfanyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(trisulfanyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(trisulfanyl)propanoic acid is N[C@@H](CSSS)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(trisulfanyl)propanoic acid?
The InChIKey is WBUQYANSBCOQMP-REOHCLBHSA-N. The full InChI is InChI=1S/C3H7NO2S3/c4-2(3(5)6)1-8-9-7/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1.
What are the key properties of (2R)-2-amino-3-(trisulfanyl)propanoic acid?
(2R)-2-amino-3-(trisulfanyl)propanoic acid has a molecular weight of 185.29 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(trisulfanyl)propanoic acid is sourced from PubChem (CID 137350062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).