[(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium

C15H27N4O2+ — CID 9053648

IUPAC[(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
SMILESCC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)CC(=O)NC1CC1
InChIInChI=1S/C15H26N4O2/c1-10(2)15(4,9-16)18-14(21)11(3)19(5)8-13(20)17-12-6-7-12/h10-12H,6-8H2,1-5H3,(H,17,20)(H,18,21)/p+1/t11-,15+/m1/s1
InChIKeyUDWPVNUVEPWGPP-ABAIWWIYSA-O
MW295.41 g/mol
LogP-0.78
Rot. Bonds7

About [(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium

[(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium (PubChem CID 9053648) has the molecular formula C15H27N4O2+ and a molecular weight of 295.41 g/mol. Its IUPAC name is [(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
PubChem CID9053648
Molecular FormulaC15H27N4O2+
Molecular Weight295.41 g/mol
Exact Mass295.21
IUPAC Name[(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
SMILESCC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)CC(=O)NC1CC1
InChIInChI=1S/C15H26N4O2/c1-10(2)15(4,9-16)18-14(21)11(3)19(5)8-13(20)17-12-6-7-12/h10-12H,6-8H2,1-5H3,(H,17,20)(H,18,21)/p+1/t11-,15+/m1/s1
InChIKeyUDWPVNUVEPWGPP-ABAIWWIYSA-O
XLogP-0.78
TPSA86.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium with MolForge

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Launch Full Analysis

Related Compounds

[2-(tert-butylamino)-2-oxoethyl]-[(2S)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-methylazanium
CID 8767719
[(2S)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-[2-(diethylamino)-2-oxoethyl]-methylazanium
CID 9207730
[(2R)-1-(benzhydrylamino)-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium
CID 9053407
N-(2-cyano-3-methylbutan-2-yl)-2-hydroxypropanamide
CID 18700272
[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9053228
2,3-dibromo-N-(2-cyano-3-methylbutan-2-yl)propanamide
CID 12945446
(2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-cyclopentylsulfanylpropanamide
CID 2481427
[2-(cyclopropylamino)-2-oxoethyl]-[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9053319
[2-(cyclopropylamino)-2-oxoethyl]-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-methylazanium
CID 9053620
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[2-(2,6-dichloroanilino)-2-oxoethyl]-methylazanium
CID 8559559
[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-methylazanium
CID 11933092
[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-1-oxopropan-2-yl]-methylazanium
CID 11933094

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of [(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium (CID 9053648) is [(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium is CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)CC(=O)NC1CC1.
What is the InChIKey of [(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
The InChIKey is UDWPVNUVEPWGPP-ABAIWWIYSA-O. The full InChI is InChI=1S/C15H26N4O2/c1-10(2)15(4,9-16)18-14(21)11(3)19(5)8-13(20)17-12-6-7-12/h10-12H,6-8H2,1-5H3,(H,17,20)(H,18,21)/p+1/t11-,15+/m1/s1.
What are the key properties of [(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium?
[(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium has a molecular weight of 295.41 g/mol, XLogP of -0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-[2-(cyclopropylamino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 9053648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).