(2R)-2-amino-3-[[(2R)-2-amino-3-(methylamino)-3-oxopropyl]disulfanyl]-N-methylpropanamide

C8H18N4O2S2 — CID 142641958

IUPAC(2R)-2-amino-3-[[(2R)-2-amino-3-(methylamino)-3-oxopropyl]disulfanyl]-N-methylpropanamide
SMILESCNC(=O)[C@@H](N)CSSC[C@H](N)C(=O)NC
InChIInChI=1S/C8H18N4O2S2/c1-11-7(13)5(9)3-15-16-4-6(10)8(14)12-2/h5-6H,3-4,9-10H2,1-2H3,(H,11,13)(H,12,14)/t5-,6-/m0/s1
InChIKeySHLAJXUBMIXPCG-WDSKDSINSA-N
MW266.39 g/mol
LogP-1.49
Rot. Bonds7

About (2R)-2-amino-3-[[(2R)-2-amino-3-(methylamino)-3-oxopropyl]disulfanyl]-N-methylpropanamide

(2R)-2-amino-3-[[(2R)-2-amino-3-(methylamino)-3-oxopropyl]disulfanyl]-N-methylpropanamide (PubChem CID 142641958) has the molecular formula C8H18N4O2S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (2R)-2-amino-3-[[(2R)-2-amino-3-(methylamino)-3-oxopropyl]disulfanyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-[[(2R)-2-amino-3-(methylamino)-3-oxopropyl]disulfanyl]-N-methylpropanamide
PubChem CID142641958
Molecular FormulaC8H18N4O2S2
Molecular Weight266.39 g/mol
Exact Mass266.09
IUPAC Name(2R)-2-amino-3-[[(2R)-2-amino-3-(methylamino)-3-oxopropyl]disulfanyl]-N-methylpropanamide
SMILESCNC(=O)[C@@H](N)CSSC[C@H](N)C(=O)NC
InChIInChI=1S/C8H18N4O2S2/c1-11-7(13)5(9)3-15-16-4-6(10)8(14)12-2/h5-6H,3-4,9-10H2,1-2H3,(H,11,13)(H,12,14)/t5-,6-/m0/s1
InChIKeySHLAJXUBMIXPCG-WDSKDSINSA-N
XLogP-1.49
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3,3'-Dithiobis[N-methylpropanamide]
CID 70464
Ethanethioic acid, S-(2-(((2R)-2-(acetylamino)-3-mercapto-1-oxopropyl)amino)ethyl)ester
CID 484333
(2R)-2-amino-3-[[(2R)-2-amino-3-(cyclopropylamino)-3-oxopropyl]disulfanyl]-N-cyclopropylpropanamide
CID 76684166
(2R)-2-acetamido-3-sulfanyl-N-(2-sulfanylethyl)propanamide
CID 516570
Propionamide, N,N'-(dithiodiethylene)bis(2-amino-, L-, dihydrobromide
CID 18631477
(2R)-2-amino-3-[[(2R)-2-amino-3-(dimethylamino)-3-oxopropyl]disulfanyl]-N,N-dimethylpropanamide
CID 76684164
(2R)-2-amino-3-[[(2R)-2-amino-3-(diethylamino)-3-oxopropyl]disulfanyl]-N,N-diethylpropanamide
CID 76684165
Me-Cys(1)-NMe2.Me-Cys(1)-NMe2
CID 76684251
Me-Cys(1)-NEt2.Me-Cys(1)-NEt2
CID 76684252
Me-Cys(1)-NHcPr.Me-Cys(1)-NHcPr
CID 76684253
cysteine N-methyl amide
CID 54285324
(2R)-2-[(2-aminoacetyl)amino]-N-[2-[2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]ethyldisulfanyl]ethyl]propanamide
CID 3088295

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[(2R)-2-amino-3-(methylamino)-3-oxopropyl]disulfanyl]-N-methylpropanamide?
The IUPAC name of (2R)-2-amino-3-[[(2R)-2-amino-3-(methylamino)-3-oxopropyl]disulfanyl]-N-methylpropanamide (CID 142641958) is (2R)-2-amino-3-[[(2R)-2-amino-3-(methylamino)-3-oxopropyl]disulfanyl]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-amino-3-[[(2R)-2-amino-3-(methylamino)-3-oxopropyl]disulfanyl]-N-methylpropanamide?
The canonical SMILES for (2R)-2-amino-3-[[(2R)-2-amino-3-(methylamino)-3-oxopropyl]disulfanyl]-N-methylpropanamide is CNC(=O)[C@@H](N)CSSC[C@H](N)C(=O)NC.
What is the InChIKey of (2R)-2-amino-3-[[(2R)-2-amino-3-(methylamino)-3-oxopropyl]disulfanyl]-N-methylpropanamide?
The InChIKey is SHLAJXUBMIXPCG-WDSKDSINSA-N. The full InChI is InChI=1S/C8H18N4O2S2/c1-11-7(13)5(9)3-15-16-4-6(10)8(14)12-2/h5-6H,3-4,9-10H2,1-2H3,(H,11,13)(H,12,14)/t5-,6-/m0/s1.
What are the key properties of (2R)-2-amino-3-[[(2R)-2-amino-3-(methylamino)-3-oxopropyl]disulfanyl]-N-methylpropanamide?
(2R)-2-amino-3-[[(2R)-2-amino-3-(methylamino)-3-oxopropyl]disulfanyl]-N-methylpropanamide has a molecular weight of 266.39 g/mol, XLogP of -1.49, 7 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-(methylamino)-3-oxopropyl]disulfanyl]-N-methylpropanamide is sourced from PubChem (CID 142641958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).