(2R)-2-amino-3-[(2R)-2-amino-3-sulfanylpropanoyl]oxypropanoic acid

C6H12N2O4S — CID 87672799

IUPAC(2R)-2-amino-3-[(2R)-2-amino-3-sulfanylpropanoyl]oxypropanoic acid
SMILESN[C@H](COC(=O)[C@@H](N)CS)C(=O)O
InChIInChI=1S/C6H12N2O4S/c7-3(5(9)10)1-12-6(11)4(8)2-13/h3-4,13H,1-2,7-8H2,(H,9,10)/t3-,4+/m1/s1
InChIKeyALXMABDMBOVZMM-DMTCNVIQSA-N
MW208.24 g/mol
LogP-1.80
Rot. Bonds5

About (2R)-2-amino-3-[(2R)-2-amino-3-sulfanylpropanoyl]oxypropanoic acid

(2R)-2-amino-3-[(2R)-2-amino-3-sulfanylpropanoyl]oxypropanoic acid (PubChem CID 87672799) has the molecular formula C6H12N2O4S and a molecular weight of 208.24 g/mol. Its IUPAC name is (2R)-2-amino-3-[(2R)-2-amino-3-sulfanylpropanoyl]oxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(2R)-2-amino-3-sulfanylpropanoyl]oxypropanoic acid
PubChem CID87672799
Molecular FormulaC6H12N2O4S
Molecular Weight208.24 g/mol
Exact Mass208.05
IUPAC Name(2R)-2-amino-3-[(2R)-2-amino-3-sulfanylpropanoyl]oxypropanoic acid
SMILESN[C@H](COC(=O)[C@@H](N)CS)C(=O)O
InChIInChI=1S/C6H12N2O4S/c7-3(5(9)10)1-12-6(11)4(8)2-13/h3-4,13H,1-2,7-8H2,(H,9,10)/t3-,4+/m1/s1
InChIKeyALXMABDMBOVZMM-DMTCNVIQSA-N
XLogP-1.80
TPSA115.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
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-3-[(2R)-2-amino-3-sulfanylpropanoyl]oxypropanoic acid?
The IUPAC name of (2R)-2-amino-3-[(2R)-2-amino-3-sulfanylpropanoyl]oxypropanoic acid (CID 87672799) is (2R)-2-amino-3-[(2R)-2-amino-3-sulfanylpropanoyl]oxypropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[(2R)-2-amino-3-sulfanylpropanoyl]oxypropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[(2R)-2-amino-3-sulfanylpropanoyl]oxypropanoic acid is N[C@H](COC(=O)[C@@H](N)CS)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[(2R)-2-amino-3-sulfanylpropanoyl]oxypropanoic acid?
The InChIKey is ALXMABDMBOVZMM-DMTCNVIQSA-N. The full InChI is InChI=1S/C6H12N2O4S/c7-3(5(9)10)1-12-6(11)4(8)2-13/h3-4,13H,1-2,7-8H2,(H,9,10)/t3-,4+/m1/s1.
What are the key properties of (2R)-2-amino-3-[(2R)-2-amino-3-sulfanylpropanoyl]oxypropanoic acid?
(2R)-2-amino-3-[(2R)-2-amino-3-sulfanylpropanoyl]oxypropanoic acid has a molecular weight of 208.24 g/mol, XLogP of -1.80, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[(2R)-2-amino-3-sulfanylpropanoyl]oxypropanoic acid is sourced from PubChem (CID 87672799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).