[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]azanium

C8H18N3O2+ — CID 7019980

IUPAC[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]azanium
SMILESCC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(N)=O
InChIInChI=1S/C8H17N3O2/c1-4(2)6(7(10)12)11-8(13)5(3)9/h4-6H,9H2,1-3H3,(H2,10,12)(H,11,13)/p+1/t5-,6-/m0/s1
InChIKeyXIMNOSWWKHYSER-WDSKDSINSA-O
MW188.25 g/mol
LogP-1.76
Rot. Bonds4

About [(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]azanium

[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]azanium (PubChem CID 7019980) has the molecular formula C8H18N3O2+ and a molecular weight of 188.25 g/mol. Its IUPAC name is [(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]azanium
PubChem CID7019980
Molecular FormulaC8H18N3O2+
Molecular Weight188.25 g/mol
Exact Mass188.14
IUPAC Name[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]azanium
SMILESCC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(N)=O
InChIInChI=1S/C8H17N3O2/c1-4(2)6(7(10)12)11-8(13)5(3)9/h4-6H,9H2,1-3H3,(H2,10,12)(H,11,13)/p+1/t5-,6-/m0/s1
InChIKeyXIMNOSWWKHYSER-WDSKDSINSA-O
XLogP-1.76
TPSA99.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-1.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]azanium?
The IUPAC name of [(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]azanium (CID 7019980) is [(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]azanium is CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(N)=O.
What is the InChIKey of [(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]azanium?
The InChIKey is XIMNOSWWKHYSER-WDSKDSINSA-O. The full InChI is InChI=1S/C8H17N3O2/c1-4(2)6(7(10)12)11-8(13)5(3)9/h4-6H,9H2,1-3H3,(H2,10,12)(H,11,13)/p+1/t5-,6-/m0/s1.
What are the key properties of [(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]azanium?
[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]azanium has a molecular weight of 188.25 g/mol, XLogP of -1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 7019980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).