(2R)-2-amino-N-[(2R)-2-amino-3-sulfanylpropanoyl]-3-sulfanylpropanamide

C6H13N3O2S2 — CID 54168661

IUPAC(2R)-2-amino-N-[(2R)-2-amino-3-sulfanylpropanoyl]-3-sulfanylpropanamide
SMILESN[C@@H](CS)C(=O)NC(=O)[C@@H](N)CS
InChIInChI=1S/C6H13N3O2S2/c7-3(1-12)5(10)9-6(11)4(8)2-13/h3-4,12-13H,1-2,7-8H2,(H,9,10,11)/t3-,4-/m0/s1
InChIKeyOTLNAJRZQYJKGT-IMJSIDKUSA-N
MW223.32 g/mol
LogP-1.86
Rot. Bonds4

About (2R)-2-amino-N-[(2R)-2-amino-3-sulfanylpropanoyl]-3-sulfanylpropanamide

(2R)-2-amino-N-[(2R)-2-amino-3-sulfanylpropanoyl]-3-sulfanylpropanamide (PubChem CID 54168661) has the molecular formula C6H13N3O2S2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (2R)-2-amino-N-[(2R)-2-amino-3-sulfanylpropanoyl]-3-sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(2R)-2-amino-3-sulfanylpropanoyl]-3-sulfanylpropanamide
PubChem CID54168661
Molecular FormulaC6H13N3O2S2
Molecular Weight223.32 g/mol
Exact Mass223.04
IUPAC Name(2R)-2-amino-N-[(2R)-2-amino-3-sulfanylpropanoyl]-3-sulfanylpropanamide
SMILESN[C@@H](CS)C(=O)NC(=O)[C@@H](N)CS
InChIInChI=1S/C6H13N3O2S2/c7-3(1-12)5(10)9-6(11)4(8)2-13/h3-4,12-13H,1-2,7-8H2,(H,9,10,11)/t3-,4-/m0/s1
InChIKeyOTLNAJRZQYJKGT-IMJSIDKUSA-N
XLogP-1.86
TPSA98.21 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 5-1.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(2R)-2-amino-3-sulfanylpropanoyl]-3-sulfanylpropanamide?
The IUPAC name of (2R)-2-amino-N-[(2R)-2-amino-3-sulfanylpropanoyl]-3-sulfanylpropanamide (CID 54168661) is (2R)-2-amino-N-[(2R)-2-amino-3-sulfanylpropanoyl]-3-sulfanylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[(2R)-2-amino-3-sulfanylpropanoyl]-3-sulfanylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[(2R)-2-amino-3-sulfanylpropanoyl]-3-sulfanylpropanamide is N[C@@H](CS)C(=O)NC(=O)[C@@H](N)CS.
What is the InChIKey of (2R)-2-amino-N-[(2R)-2-amino-3-sulfanylpropanoyl]-3-sulfanylpropanamide?
The InChIKey is OTLNAJRZQYJKGT-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H13N3O2S2/c7-3(1-12)5(10)9-6(11)4(8)2-13/h3-4,12-13H,1-2,7-8H2,(H,9,10,11)/t3-,4-/m0/s1.
What are the key properties of (2R)-2-amino-N-[(2R)-2-amino-3-sulfanylpropanoyl]-3-sulfanylpropanamide?
(2R)-2-amino-N-[(2R)-2-amino-3-sulfanylpropanoyl]-3-sulfanylpropanamide has a molecular weight of 223.32 g/mol, XLogP of -1.86, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(2R)-2-amino-3-sulfanylpropanoyl]-3-sulfanylpropanamide is sourced from PubChem (CID 54168661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).