methyl (3R)-3-methyl-2-oxopentanoate

C7H12O3 — CID 642250

IUPACmethyl (3R)-3-methyl-2-oxopentanoate
SMILESCC[C@@H](C)C(=O)C(=O)OC
InChIInChI=1S/C7H12O3/c1-4-5(2)6(8)7(9)10-3/h5H,4H2,1-3H3/t5-/m1/s1
InChIKeyZPSBJVARKCHQDF-RXMQYKEDSA-N
MW144.17 g/mol
LogP0.77
Rot. Bonds3

About methyl (3R)-3-methyl-2-oxopentanoate

methyl (3R)-3-methyl-2-oxopentanoate (PubChem CID 642250) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl (3R)-3-methyl-2-oxopentanoate.

Molecular Properties

Compound Namemethyl (3R)-3-methyl-2-oxopentanoate
PubChem CID642250
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namemethyl (3R)-3-methyl-2-oxopentanoate
SMILESCC[C@@H](C)C(=O)C(=O)OC
InChIInChI=1S/C7H12O3/c1-4-5(2)6(8)7(9)10-3/h5H,4H2,1-3H3/t5-/m1/s1
InChIKeyZPSBJVARKCHQDF-RXMQYKEDSA-N
XLogP0.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(S)-3-methyl-2-oxopentanoate
CID 6857401
Methyl 2-oxo-3-methylpentanoate
CID 545106
Npc323163
CID 3527278
3-Methyl-2-oxovalerate
CID 4298878
Sodium 3-methyl-2-oxopentanoate
CID 2724058
Ethyl 3-methyl-2-oxopentanoate
CID 13129857
Methyl 3-methylpentanoate
CID 519891
Methyl 4-methyl-2-oxopentanoate
CID 546077
Methyl 2-cyclopropyl-2-oxoacetate
CID 12211939
Methyl 3-methyl-4-oxopentanoate
CID 141183
Methyl 2-Oxovalerate
CID 642256
Ethyl 2-cyclopropyl-2-oxoacetate
CID 18370816

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-methyl-2-oxopentanoate?
The IUPAC name of methyl (3R)-3-methyl-2-oxopentanoate (CID 642250) is methyl (3R)-3-methyl-2-oxopentanoate.
What is the SMILES notation for methyl (3R)-3-methyl-2-oxopentanoate?
The canonical SMILES for methyl (3R)-3-methyl-2-oxopentanoate is CC[C@@H](C)C(=O)C(=O)OC.
What is the InChIKey of methyl (3R)-3-methyl-2-oxopentanoate?
The InChIKey is ZPSBJVARKCHQDF-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H12O3/c1-4-5(2)6(8)7(9)10-3/h5H,4H2,1-3H3/t5-/m1/s1.
What are the key properties of methyl (3R)-3-methyl-2-oxopentanoate?
methyl (3R)-3-methyl-2-oxopentanoate has a molecular weight of 144.17 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-methyl-2-oxopentanoate is sourced from PubChem (CID 642250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).