(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]pentanedioic acid

C8H14N2O6S2 — CID 87485678

IUPAC(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]pentanedioic acid
SMILESN[C@H](C(=O)O)C(CC(=O)O)SSC[C@H](N)C(=O)O
InChIInChI=1S/C8H14N2O6S2/c9-3(7(13)14)2-17-18-4(1-5(11)12)6(10)8(15)16/h3-4,6H,1-2,9-10H2,(H,11,12)(H,13,14)(H,15,16)/t3-,4?,6-/m0/s1
InChIKeyRIKJSTFQVPEPIK-BYAPIUGTSA-N
MW298.34 g/mol
LogP-0.97
Rot. Bonds9

About (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]pentanedioic acid

(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]pentanedioic acid (PubChem CID 87485678) has the molecular formula C8H14N2O6S2 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]pentanedioic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]pentanedioic acid
PubChem CID87485678
Molecular FormulaC8H14N2O6S2
Molecular Weight298.34 g/mol
Exact Mass298.03
IUPAC Name(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]pentanedioic acid
SMILESN[C@H](C(=O)O)C(CC(=O)O)SSC[C@H](N)C(=O)O
InChIInChI=1S/C8H14N2O6S2/c9-3(7(13)14)2-17-18-4(1-5(11)12)6(10)8(15)16/h3-4,6H,1-2,9-10H2,(H,11,12)(H,13,14)(H,15,16)/t3-,4?,6-/m0/s1
InChIKeyRIKJSTFQVPEPIK-BYAPIUGTSA-N
XLogP-0.97
TPSA163.94 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]pentanedioic acid?
The IUPAC name of (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]pentanedioic acid (CID 87485678) is (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]pentanedioic acid.
What is the SMILES notation for (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]pentanedioic acid?
The canonical SMILES for (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]pentanedioic acid is N[C@H](C(=O)O)C(CC(=O)O)SSC[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]pentanedioic acid?
The InChIKey is RIKJSTFQVPEPIK-BYAPIUGTSA-N. The full InChI is InChI=1S/C8H14N2O6S2/c9-3(7(13)14)2-17-18-4(1-5(11)12)6(10)8(15)16/h3-4,6H,1-2,9-10H2,(H,11,12)(H,13,14)(H,15,16)/t3-,4?,6-/m0/s1.
What are the key properties of (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]pentanedioic acid?
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]pentanedioic acid has a molecular weight of 298.34 g/mol, XLogP of -0.97, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]pentanedioic acid is sourced from PubChem (CID 87485678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).