(2S)-2-amino-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-methylpropanamide;hydrobromide

C9H20BrN3O2 — CID 88791984

IUPAC(2S)-2-amino-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-methylpropanamide;hydrobromide
SMILESBr.CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C)N
InChIInChI=1S/C9H19N3O2.BrH/c1-5-11-8(13)7(3)12(4)9(14)6(2)10;/h6-7H,5,10H2,1-4H3,(H,11,13);1H/t6-,7-;/m0./s1
InChIKeyWIGLYQBMMSQMGN-LEUCUCNGSA-N
MW282.18 g/mol
LogP-0.11
Rot. Bonds4

About (2S)-2-amino-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-methylpropanamide;hydrobromide

(2S)-2-amino-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-methylpropanamide;hydrobromide (PubChem CID 88791984) has the molecular formula C9H20BrN3O2 and a molecular weight of 282.18 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-methylpropanamide;hydrobromide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-methylpropanamide;hydrobromide
PubChem CID88791984
Molecular FormulaC9H20BrN3O2
Molecular Weight282.18 g/mol
Exact Mass281.07
IUPAC Name(2S)-2-amino-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-methylpropanamide;hydrobromide
SMILESBr.CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C)N
InChIInChI=1S/C9H19N3O2.BrH/c1-5-11-8(13)7(3)12(4)9(14)6(2)10;/h6-7H,5,10H2,1-4H3,(H,11,13);1H/t6-,7-;/m0./s1
InChIKeyWIGLYQBMMSQMGN-LEUCUCNGSA-N
XLogP-0.11
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-methylpropanamide;hydrobromide with MolForge

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Related Compounds

methyl 2-[2-aminopropanoyl(methyl)amino]propanoate
CID 18723921
2-[2-aminopropanoyl(methyl)amino]propanoic acid
CID 62637086
2-[acetyl(methyl)amino]-N-ethyl-3-oxobutanamide
CID 21334807
2-[4-aminobutan-2-yl(methyl)amino]-N-ethylpropanamide
CID 63225487
2-amino-N,N'-diethylpropanediamide
CID 88901749
tert-butyl (2S)-4-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]-methylamino]propanoyl]amino]-4-oxobutanoate
CID 171621458
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
2-(dimethylamino)-N-(hydroxymethyl)propanamide
CID 13328120
(2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-ethylbutanamide;hydrochloride
CID 158763215
2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide
CID 43458316
N-ethyl-2-[methyl(piperidin-4-yl)amino]propanamide
CID 43607766
2-[[(2S)-2-aminopropanoyl]amino]-N-ethyl-3-methylbutanamide;azane;ethane
CID 143299850

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-methylpropanamide;hydrobromide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-methylpropanamide;hydrobromide (CID 88791984) is (2S)-2-amino-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-methylpropanamide;hydrobromide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-methylpropanamide;hydrobromide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-methylpropanamide;hydrobromide is Br.CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-methylpropanamide;hydrobromide?
The InChIKey is WIGLYQBMMSQMGN-LEUCUCNGSA-N. The full InChI is InChI=1S/C9H19N3O2.BrH/c1-5-11-8(13)7(3)12(4)9(14)6(2)10;/h6-7H,5,10H2,1-4H3,(H,11,13);1H/t6-,7-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-methylpropanamide;hydrobromide?
(2S)-2-amino-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-methylpropanamide;hydrobromide has a molecular weight of 282.18 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-methylpropanamide;hydrobromide is sourced from PubChem (CID 88791984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).