[3-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-2,3-dimethylbutan-2-yl] (2R)-2-amino-3-sulfanylpropanoate

C12H24N2O4S2 — CID 101477503

IUPAC[3-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-2,3-dimethylbutan-2-yl] (2R)-2-amino-3-sulfanylpropanoate
SMILESCC(C)(OC(=O)[C@@H](N)CS)C(C)(C)OC(=O)[C@@H](N)CS
InChIInChI=1S/C12H24N2O4S2/c1-11(2,17-9(15)7(13)5-19)12(3,4)18-10(16)8(14)6-20/h7-8,19-20H,5-6,13-14H2,1-4H3/t7-,8-/m0/s1
InChIKeyNRGJNLDEKYBXLG-YUMQZZPRSA-N
MW324.47 g/mol
LogP0.14
Rot. Bonds7

About [3-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-2,3-dimethylbutan-2-yl] (2R)-2-amino-3-sulfanylpropanoate

[3-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-2,3-dimethylbutan-2-yl] (2R)-2-amino-3-sulfanylpropanoate (PubChem CID 101477503) has the molecular formula C12H24N2O4S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is [3-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-2,3-dimethylbutan-2-yl] (2R)-2-amino-3-sulfanylpropanoate.

Molecular Properties

Compound Name[3-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-2,3-dimethylbutan-2-yl] (2R)-2-amino-3-sulfanylpropanoate
PubChem CID101477503
Molecular FormulaC12H24N2O4S2
Molecular Weight324.47 g/mol
Exact Mass324.12
IUPAC Name[3-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-2,3-dimethylbutan-2-yl] (2R)-2-amino-3-sulfanylpropanoate
SMILESCC(C)(OC(=O)[C@@H](N)CS)C(C)(C)OC(=O)[C@@H](N)CS
InChIInChI=1S/C12H24N2O4S2/c1-11(2,17-9(15)7(13)5-19)12(3,4)18-10(16)8(14)6-20/h7-8,19-20H,5-6,13-14H2,1-4H3/t7-,8-/m0/s1
InChIKeyNRGJNLDEKYBXLG-YUMQZZPRSA-N
XLogP0.14
TPSA104.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [3-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-2,3-dimethylbutan-2-yl] (2R)-2-amino-3-sulfanylpropanoate with MolForge

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Launch Full Analysis

Related Compounds

(1-amino-2-methylpropan-2-yl) (2R)-2-amino-3-sulfanylpropanoate
CID 139681743
(2R)-2-amino-3-sulfanylpropaneperoxoic acid
CID 91512911
(2S)-2-amino-1-sulfanylpentan-3-one
CID 71474608
[(2R)-2-amino-3-sulfanylpropanoyl]oxycarbonyl (2R)-2-amino-3-sulfanylpropanoate
CID 174802205
2-amino-1-sulfanylpentan-3-one
CID 59888433
(2R)-2-amino-5,5-dimethyl-1-sulfanylheptan-3-one
CID 89002752
acetyl (2R)-2-amino-3-sulfanylpropanoate;azane
CID 87963097
(trimethyl-λ4-sulfanyl) 2-amino-3-sulfanylpropanoate
CID 175665124
[(2R)-2-amino-3-sulfanylpropanoyl]oxycarbonyl (2R)-2-amino-3-sulfanylpropanoate;hydrochloride
CID 174802204
sodium;acetyl (2R)-2-amino-3-sulfanylpropanoate;hydride
CID 173279188
3-methylbutan-2-yl (2R)-2-amino-3-sulfanylpropanoate
CID 107774194
(3R)-3-amino-4-sulfanylbutan-2-one;methane
CID 160825697

Frequently Asked Questions

What is the IUPAC name of [3-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-2,3-dimethylbutan-2-yl] (2R)-2-amino-3-sulfanylpropanoate?
The IUPAC name of [3-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-2,3-dimethylbutan-2-yl] (2R)-2-amino-3-sulfanylpropanoate (CID 101477503) is [3-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-2,3-dimethylbutan-2-yl] (2R)-2-amino-3-sulfanylpropanoate.
What is the SMILES notation for [3-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-2,3-dimethylbutan-2-yl] (2R)-2-amino-3-sulfanylpropanoate?
The canonical SMILES for [3-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-2,3-dimethylbutan-2-yl] (2R)-2-amino-3-sulfanylpropanoate is CC(C)(OC(=O)[C@@H](N)CS)C(C)(C)OC(=O)[C@@H](N)CS.
What is the InChIKey of [3-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-2,3-dimethylbutan-2-yl] (2R)-2-amino-3-sulfanylpropanoate?
The InChIKey is NRGJNLDEKYBXLG-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H24N2O4S2/c1-11(2,17-9(15)7(13)5-19)12(3,4)18-10(16)8(14)6-20/h7-8,19-20H,5-6,13-14H2,1-4H3/t7-,8-/m0/s1.
What are the key properties of [3-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-2,3-dimethylbutan-2-yl] (2R)-2-amino-3-sulfanylpropanoate?
[3-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-2,3-dimethylbutan-2-yl] (2R)-2-amino-3-sulfanylpropanoate has a molecular weight of 324.47 g/mol, XLogP of 0.14, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2R)-2-amino-3-sulfanylpropanoyl]oxy-2,3-dimethylbutan-2-yl] (2R)-2-amino-3-sulfanylpropanoate is sourced from PubChem (CID 101477503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).