[(2S)-1-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]azanium chloride

C10H20ClN3O4 — CID 73427524

IUPAC[(2S)-1-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]azanium chloride
SMILESCCOC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)[NH3+].[Cl-]
InChIInChI=1S/C10H19N3O4.ClH/c1-4-17-10(16)7(3)13-8(14)5-12-9(15)6(2)11;/h6-7H,4-5,11H2,1-3H3,(H,12,15)(H,13,14);1H/t6-,7-;/m0./s1
InChIKeyYFKZRNLUYXBPGJ-LEUCUCNGSA-N
MW281.74 g/mol
LogP-5.20
Rot. Bonds6

About [(2S)-1-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]azanium chloride

[(2S)-1-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]azanium chloride (PubChem CID 73427524) has the molecular formula C10H20ClN3O4 and a molecular weight of 281.74 g/mol. Its IUPAC name is [(2S)-1-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]azanium chloride.

Molecular Properties

Compound Name[(2S)-1-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]azanium chloride
PubChem CID73427524
Molecular FormulaC10H20ClN3O4
Molecular Weight281.74 g/mol
Exact Mass281.11
IUPAC Name[(2S)-1-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]azanium chloride
SMILESCCOC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)[NH3+].[Cl-]
InChIInChI=1S/C10H19N3O4.ClH/c1-4-17-10(16)7(3)13-8(14)5-12-9(15)6(2)11;/h6-7H,4-5,11H2,1-3H3,(H,12,15)(H,13,14);1H/t6-,7-;/m0./s1
InChIKeyYFKZRNLUYXBPGJ-LEUCUCNGSA-N
XLogP-5.20
TPSA112.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 5-5.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]azanium chloride?
The IUPAC name of [(2S)-1-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]azanium chloride (CID 73427524) is [(2S)-1-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]azanium chloride.
What is the SMILES notation for [(2S)-1-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]azanium chloride?
The canonical SMILES for [(2S)-1-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]azanium chloride is CCOC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)[NH3+].[Cl-].
What is the InChIKey of [(2S)-1-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]azanium chloride?
The InChIKey is YFKZRNLUYXBPGJ-LEUCUCNGSA-N. The full InChI is InChI=1S/C10H19N3O4.ClH/c1-4-17-10(16)7(3)13-8(14)5-12-9(15)6(2)11;/h6-7H,4-5,11H2,1-3H3,(H,12,15)(H,13,14);1H/t6-,7-;/m0./s1.
What are the key properties of [(2S)-1-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]azanium chloride?
[(2S)-1-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]azanium chloride has a molecular weight of 281.74 g/mol, XLogP of -5.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]azanium chloride is sourced from PubChem (CID 73427524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).