[(2S)-2-amino-3-hydroxypropanoyl]oxysulfinyl (2S)-2-amino-3-hydroxypropanoate;azane

C6H18N4O7S — CID 175565724

IUPAC[(2S)-2-amino-3-hydroxypropanoyl]oxysulfinyl (2S)-2-amino-3-hydroxypropanoate;azane
SMILESN.N.N[C@@H](CO)C(=O)OS(=O)OC(=O)[C@@H](N)CO
InChIInChI=1S/C6H12N2O7S.2H3N/c7-3(1-9)5(11)14-16(13)15-6(12)4(8)2-10;;/h3-4,9-10H,1-2,7-8H2;2*1H3/t3-,4-;;/m0../s1
InChIKeyIKGWSRFIQPTRAF-RGVONZFCSA-N
MW290.30 g/mol
LogP-3.39
Rot. Bonds6

About [(2S)-2-amino-3-hydroxypropanoyl]oxysulfinyl (2S)-2-amino-3-hydroxypropanoate;azane

[(2S)-2-amino-3-hydroxypropanoyl]oxysulfinyl (2S)-2-amino-3-hydroxypropanoate;azane (PubChem CID 175565724) has the molecular formula C6H18N4O7S and a molecular weight of 290.30 g/mol. Its IUPAC name is [(2S)-2-amino-3-hydroxypropanoyl]oxysulfinyl (2S)-2-amino-3-hydroxypropanoate;azane.

Molecular Properties

Compound Name[(2S)-2-amino-3-hydroxypropanoyl]oxysulfinyl (2S)-2-amino-3-hydroxypropanoate;azane
PubChem CID175565724
Molecular FormulaC6H18N4O7S
Molecular Weight290.30 g/mol
Exact Mass290.09
IUPAC Name[(2S)-2-amino-3-hydroxypropanoyl]oxysulfinyl (2S)-2-amino-3-hydroxypropanoate;azane
SMILESN.N.N[C@@H](CO)C(=O)OS(=O)OC(=O)[C@@H](N)CO
InChIInChI=1S/C6H12N2O7S.2H3N/c7-3(1-9)5(11)14-16(13)15-6(12)4(8)2-10;;/h3-4,9-10H,1-2,7-8H2;2*1H3/t3-,4-;;/m0../s1
InChIKeyIKGWSRFIQPTRAF-RGVONZFCSA-N
XLogP-3.39
TPSA232.17 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500290.30
LogP ≤ 5-3.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

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Related Compounds

methyl (2S)-2-amino-3-hydroxypropanoate
CID 2723731
phosphanyl (2S)-2-amino-3-hydroxypropanoate
CID 174799814
CID 59233631
CID 59233631
2-hydroxyethyl (2S)-2-amino-3-hydroxypropanoate
CID 174781046
methyl 2-amino-3-hydroxypropanoate;hydrochloride
CID 517373
2-amino-3-hydroxypropanoic acid;oxalic acid
CID 174377676
bis[[(2S)-2-amino-3-hydroxypropanoyl]oxy]-oxophosphanium
CID 174588325
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
propyl (2R)-2-amino-3-hydroxypropanoate
CID 55281348
2-hydroxypropanoyl (2R)-2-amino-3-hydroxypropanoate
CID 118649421
propyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
CID 131729419
(3S)-3-amino-4-hydroxybutan-2-one
CID 91337493

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-3-hydroxypropanoyl]oxysulfinyl (2S)-2-amino-3-hydroxypropanoate;azane?
The IUPAC name of [(2S)-2-amino-3-hydroxypropanoyl]oxysulfinyl (2S)-2-amino-3-hydroxypropanoate;azane (CID 175565724) is [(2S)-2-amino-3-hydroxypropanoyl]oxysulfinyl (2S)-2-amino-3-hydroxypropanoate;azane.
What is the SMILES notation for [(2S)-2-amino-3-hydroxypropanoyl]oxysulfinyl (2S)-2-amino-3-hydroxypropanoate;azane?
The canonical SMILES for [(2S)-2-amino-3-hydroxypropanoyl]oxysulfinyl (2S)-2-amino-3-hydroxypropanoate;azane is N.N.N[C@@H](CO)C(=O)OS(=O)OC(=O)[C@@H](N)CO.
What is the InChIKey of [(2S)-2-amino-3-hydroxypropanoyl]oxysulfinyl (2S)-2-amino-3-hydroxypropanoate;azane?
The InChIKey is IKGWSRFIQPTRAF-RGVONZFCSA-N. The full InChI is InChI=1S/C6H12N2O7S.2H3N/c7-3(1-9)5(11)14-16(13)15-6(12)4(8)2-10;;/h3-4,9-10H,1-2,7-8H2;2*1H3/t3-,4-;;/m0../s1.
What are the key properties of [(2S)-2-amino-3-hydroxypropanoyl]oxysulfinyl (2S)-2-amino-3-hydroxypropanoate;azane?
[(2S)-2-amino-3-hydroxypropanoyl]oxysulfinyl (2S)-2-amino-3-hydroxypropanoate;azane has a molecular weight of 290.30 g/mol, XLogP of -3.39, 6 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-amino-3-hydroxypropanoyl]oxysulfinyl (2S)-2-amino-3-hydroxypropanoate;azane is sourced from PubChem (CID 175565724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).