(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;1,3-thiazolidine

C9H19N3O4S3 — CID 87534171

IUPAC(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;1,3-thiazolidine
SMILESC1CSCN1.N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C6H12N2O4S2.C3H7NS/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;1-2-5-3-4-1/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);4H,1-3H2/t3-,4-;/m0./s1
InChIKeyBAUXHHMZEZDFKY-MMALYQPHSA-N
MW329.47 g/mol
LogP-0.53
Rot. Bonds7

About (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;1,3-thiazolidine

(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;1,3-thiazolidine (PubChem CID 87534171) has the molecular formula C9H19N3O4S3 and a molecular weight of 329.47 g/mol. Its IUPAC name is (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;1,3-thiazolidine.

Molecular Properties

Compound Name(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;1,3-thiazolidine
PubChem CID87534171
Molecular FormulaC9H19N3O4S3
Molecular Weight329.47 g/mol
Exact Mass329.05
IUPAC Name(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;1,3-thiazolidine
SMILESC1CSCN1.N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C6H12N2O4S2.C3H7NS/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;1-2-5-3-4-1/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);4H,1-3H2/t3-,4-;/m0./s1
InChIKeyBAUXHHMZEZDFKY-MMALYQPHSA-N
XLogP-0.53
TPSA138.67 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 5-0.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;1,3-thiazolidine with MolForge

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Launch Full Analysis

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)-2-amino-3-chloro-3-oxopropyl]disulfanyl]propanoic acid
CID 142758437
(2S)-2-amino-3-(ethyldisulfanyl)propanoic acid
CID 46186615
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;bis(prop-2-enamide)
CID 87270826
(2S)-2-amino-3-[[(2R)-2-amino-3-(2-aminoethoxy)-3-oxopropyl]disulfanyl]propanoic acid
CID 88520758
2-amino-3-[[2-carboxy-2-(chloroamino)ethyl]disulfanyl]propanoic acid
CID 21490626

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;1,3-thiazolidine?
The IUPAC name of (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;1,3-thiazolidine (CID 87534171) is (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;1,3-thiazolidine.
What is the SMILES notation for (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;1,3-thiazolidine?
The canonical SMILES for (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;1,3-thiazolidine is C1CSCN1.N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;1,3-thiazolidine?
The InChIKey is BAUXHHMZEZDFKY-MMALYQPHSA-N. The full InChI is InChI=1S/C6H12N2O4S2.C3H7NS/c7-3(5(9)10)1-13-14-2-4(8)6(11)12;1-2-5-3-4-1/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12);4H,1-3H2/t3-,4-;/m0./s1.
What are the key properties of (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;1,3-thiazolidine?
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;1,3-thiazolidine has a molecular weight of 329.47 g/mol, XLogP of -0.53, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;1,3-thiazolidine is sourced from PubChem (CID 87534171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).