[(2R)-4-[[(2R)-2-acetamido-3-hydroxypropyl]-acetylamino]butan-2-yl] acetate

C13H24N2O5 — CID 59968188

IUPAC[(2R)-4-[[(2R)-2-acetamido-3-hydroxypropyl]-acetylamino]butan-2-yl] acetate
SMILESCC(=O)N[C@@H](CO)CN(CC[C@@H](C)OC(C)=O)C(C)=O
InChIInChI=1S/C13H24N2O5/c1-9(20-12(4)19)5-6-15(11(3)18)7-13(8-16)14-10(2)17/h9,13,16H,5-8H2,1-4H3,(H,14,17)/t9-,13-/m1/s1
InChIKeyXSHPZTRRNMRDSM-NOZJJQNGSA-N
MW288.34 g/mol
LogP-0.33
Rot. Bonds8

About [(2R)-4-[[(2R)-2-acetamido-3-hydroxypropyl]-acetylamino]butan-2-yl] acetate

[(2R)-4-[[(2R)-2-acetamido-3-hydroxypropyl]-acetylamino]butan-2-yl] acetate (PubChem CID 59968188) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is [(2R)-4-[[(2R)-2-acetamido-3-hydroxypropyl]-acetylamino]butan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-4-[[(2R)-2-acetamido-3-hydroxypropyl]-acetylamino]butan-2-yl] acetate
PubChem CID59968188
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name[(2R)-4-[[(2R)-2-acetamido-3-hydroxypropyl]-acetylamino]butan-2-yl] acetate
SMILESCC(=O)N[C@@H](CO)CN(CC[C@@H](C)OC(C)=O)C(C)=O
InChIInChI=1S/C13H24N2O5/c1-9(20-12(4)19)5-6-15(11(3)18)7-13(8-16)14-10(2)17/h9,13,16H,5-8H2,1-4H3,(H,14,17)/t9-,13-/m1/s1
InChIKeyXSHPZTRRNMRDSM-NOZJJQNGSA-N
XLogP-0.33
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[[(2R)-2-acetamido-3-hydroxypropyl]-acetylamino]butan-2-yl] acetate?
The IUPAC name of [(2R)-4-[[(2R)-2-acetamido-3-hydroxypropyl]-acetylamino]butan-2-yl] acetate (CID 59968188) is [(2R)-4-[[(2R)-2-acetamido-3-hydroxypropyl]-acetylamino]butan-2-yl] acetate.
What is the SMILES notation for [(2R)-4-[[(2R)-2-acetamido-3-hydroxypropyl]-acetylamino]butan-2-yl] acetate?
The canonical SMILES for [(2R)-4-[[(2R)-2-acetamido-3-hydroxypropyl]-acetylamino]butan-2-yl] acetate is CC(=O)N[C@@H](CO)CN(CC[C@@H](C)OC(C)=O)C(C)=O.
What is the InChIKey of [(2R)-4-[[(2R)-2-acetamido-3-hydroxypropyl]-acetylamino]butan-2-yl] acetate?
The InChIKey is XSHPZTRRNMRDSM-NOZJJQNGSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-9(20-12(4)19)5-6-15(11(3)18)7-13(8-16)14-10(2)17/h9,13,16H,5-8H2,1-4H3,(H,14,17)/t9-,13-/m1/s1.
What are the key properties of [(2R)-4-[[(2R)-2-acetamido-3-hydroxypropyl]-acetylamino]butan-2-yl] acetate?
[(2R)-4-[[(2R)-2-acetamido-3-hydroxypropyl]-acetylamino]butan-2-yl] acetate has a molecular weight of 288.34 g/mol, XLogP of -0.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-[[(2R)-2-acetamido-3-hydroxypropyl]-acetylamino]butan-2-yl] acetate is sourced from PubChem (CID 59968188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).