[(2S)-1-oxopropan-2-yl] (2S)-2-methoxypropanoate

C7H12O4 — CID 146437962

IUPAC[(2S)-1-oxopropan-2-yl] (2S)-2-methoxypropanoate
SMILESCO[C@@H](C)C(=O)O[C@@H](C)C=O
InChIInChI=1S/C7H12O4/c1-5(4-8)11-7(9)6(2)10-3/h4-6H,1-3H3/t5-,6-/m0/s1
InChIKeyWHPATKVFHZCECS-WDSKDSINSA-N
MW160.17 g/mol
LogP0.15
Rot. Bonds4

About [(2S)-1-oxopropan-2-yl] (2S)-2-methoxypropanoate

[(2S)-1-oxopropan-2-yl] (2S)-2-methoxypropanoate (PubChem CID 146437962) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is [(2S)-1-oxopropan-2-yl] (2S)-2-methoxypropanoate.

Molecular Properties

Compound Name[(2S)-1-oxopropan-2-yl] (2S)-2-methoxypropanoate
PubChem CID146437962
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name[(2S)-1-oxopropan-2-yl] (2S)-2-methoxypropanoate
SMILESCO[C@@H](C)C(=O)O[C@@H](C)C=O
InChIInChI=1S/C7H12O4/c1-5(4-8)11-7(9)6(2)10-3/h4-6H,1-3H3/t5-,6-/m0/s1
InChIKeyWHPATKVFHZCECS-WDSKDSINSA-N
XLogP0.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxopropan-2-yl] (2S)-2-methoxypropanoate?
The IUPAC name of [(2S)-1-oxopropan-2-yl] (2S)-2-methoxypropanoate (CID 146437962) is [(2S)-1-oxopropan-2-yl] (2S)-2-methoxypropanoate.
What is the SMILES notation for [(2S)-1-oxopropan-2-yl] (2S)-2-methoxypropanoate?
The canonical SMILES for [(2S)-1-oxopropan-2-yl] (2S)-2-methoxypropanoate is CO[C@@H](C)C(=O)O[C@@H](C)C=O.
What is the InChIKey of [(2S)-1-oxopropan-2-yl] (2S)-2-methoxypropanoate?
The InChIKey is WHPATKVFHZCECS-WDSKDSINSA-N. The full InChI is InChI=1S/C7H12O4/c1-5(4-8)11-7(9)6(2)10-3/h4-6H,1-3H3/t5-,6-/m0/s1.
What are the key properties of [(2S)-1-oxopropan-2-yl] (2S)-2-methoxypropanoate?
[(2S)-1-oxopropan-2-yl] (2S)-2-methoxypropanoate has a molecular weight of 160.17 g/mol, XLogP of 0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxopropan-2-yl] (2S)-2-methoxypropanoate is sourced from PubChem (CID 146437962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).