(2R)-2-amino-3-aminooxycarbonylsulfanylpropanoic acid

C4H8N2O4S — CID 139997045

IUPAC(2R)-2-amino-3-aminooxycarbonylsulfanylpropanoic acid
SMILESNOC(=O)SC[C@H](N)C(=O)O
InChIInChI=1S/C4H8N2O4S/c5-2(3(7)8)1-11-4(9)10-6/h2H,1,5-6H2,(H,7,8)/t2-/m0/s1
InChIKeyUUEGLJXHFIPRFU-REOHCLBHSA-N
MW180.19 g/mol
LogP-0.86
Rot. Bonds3

About (2R)-2-amino-3-aminooxycarbonylsulfanylpropanoic acid

(2R)-2-amino-3-aminooxycarbonylsulfanylpropanoic acid (PubChem CID 139997045) has the molecular formula C4H8N2O4S and a molecular weight of 180.19 g/mol. Its IUPAC name is (2R)-2-amino-3-aminooxycarbonylsulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-aminooxycarbonylsulfanylpropanoic acid
PubChem CID139997045
Molecular FormulaC4H8N2O4S
Molecular Weight180.19 g/mol
Exact Mass180.02
IUPAC Name(2R)-2-amino-3-aminooxycarbonylsulfanylpropanoic acid
SMILESNOC(=O)SC[C@H](N)C(=O)O
InChIInChI=1S/C4H8N2O4S/c5-2(3(7)8)1-11-4(9)10-6/h2H,1,5-6H2,(H,7,8)/t2-/m0/s1
InChIKeyUUEGLJXHFIPRFU-REOHCLBHSA-N
XLogP-0.86
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-prop-2-enoylsulfanylpropanoic acid
CID 135281345
(2R)-2-amino-3-phenylmethoxycarbonylsulfanylpropanoic acid;hydrochloride
CID 46735194
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;selane
CID 174366423
(2R)-2-amino-3-aminosulfanylpropanoic acid
CID 102214571
(2S)-2-amino-3-[[(2S)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;cadmium
CID 167531179
(2S)-2-amino-3-aminosulfanylpropanoic acid
CID 175881815
CID 87090924
CID 87090924
(2R)-2-amino-3-(benzoyloxymethoxycarbonylsulfanyl)propanoic acid
CID 126705065
(2R)-2-amino-3-(2-hydroxypropanoylsulfanyl)propanoic acid
CID 56624356
2-amino-3-(2-hydroxypropanoylsulfanyl)propanoic acid
CID 19002523
dilithium;2-amino-3-[(2-amino-2-carboxyethyl)disulfanyl]propanoic acid;hydride
CID 173165305
CID 122387822
CID 122387822

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-aminooxycarbonylsulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-aminooxycarbonylsulfanylpropanoic acid (CID 139997045) is (2R)-2-amino-3-aminooxycarbonylsulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-aminooxycarbonylsulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-aminooxycarbonylsulfanylpropanoic acid is NOC(=O)SC[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-aminooxycarbonylsulfanylpropanoic acid?
The InChIKey is UUEGLJXHFIPRFU-REOHCLBHSA-N. The full InChI is InChI=1S/C4H8N2O4S/c5-2(3(7)8)1-11-4(9)10-6/h2H,1,5-6H2,(H,7,8)/t2-/m0/s1.
What are the key properties of (2R)-2-amino-3-aminooxycarbonylsulfanylpropanoic acid?
(2R)-2-amino-3-aminooxycarbonylsulfanylpropanoic acid has a molecular weight of 180.19 g/mol, XLogP of -0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-aminooxycarbonylsulfanylpropanoic acid is sourced from PubChem (CID 139997045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).