[(2S)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] 2-methylbutanoate

C14H25NO5 — CID 46189364

IUPAC[(2S)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] 2-methylbutanoate
SMILESCCC(C)C(=O)OC[C@H](NC(=O)CC(C)C)C(=O)OC
InChIInChI=1S/C14H25NO5/c1-6-10(4)13(17)20-8-11(14(18)19-5)15-12(16)7-9(2)3/h9-11H,6-8H2,1-5H3,(H,15,16)/t10?,11-/m0/s1
InChIKeyNRFRXBGEGSVYTR-DTIOYNMSSA-N
MW287.36 g/mol
LogP1.28
Rot. Bonds8

About [(2S)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] 2-methylbutanoate

[(2S)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] 2-methylbutanoate (PubChem CID 46189364) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is [(2S)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] 2-methylbutanoate.

Molecular Properties

Compound Name[(2S)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] 2-methylbutanoate
PubChem CID46189364
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name[(2S)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] 2-methylbutanoate
SMILESCCC(C)C(=O)OC[C@H](NC(=O)CC(C)C)C(=O)OC
InChIInChI=1S/C14H25NO5/c1-6-10(4)13(17)20-8-11(14(18)19-5)15-12(16)7-9(2)3/h9-11H,6-8H2,1-5H3,(H,15,16)/t10?,11-/m0/s1
InChIKeyNRFRXBGEGSVYTR-DTIOYNMSSA-N
XLogP1.28
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] 2-methylbutanoate?
The IUPAC name of [(2S)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] 2-methylbutanoate (CID 46189364) is [(2S)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] 2-methylbutanoate.
What is the SMILES notation for [(2S)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] 2-methylbutanoate?
The canonical SMILES for [(2S)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] 2-methylbutanoate is CCC(C)C(=O)OC[C@H](NC(=O)CC(C)C)C(=O)OC.
What is the InChIKey of [(2S)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] 2-methylbutanoate?
The InChIKey is NRFRXBGEGSVYTR-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H25NO5/c1-6-10(4)13(17)20-8-11(14(18)19-5)15-12(16)7-9(2)3/h9-11H,6-8H2,1-5H3,(H,15,16)/t10?,11-/m0/s1.
What are the key properties of [(2S)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] 2-methylbutanoate?
[(2S)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] 2-methylbutanoate has a molecular weight of 287.36 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] 2-methylbutanoate is sourced from PubChem (CID 46189364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).