[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] acetate

C7H13NO3 — CID 14241776

IUPAC[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] acetate
SMILESCC(=O)O[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C7H13NO3/c1-5(11-6(2)9)7(10)8(3)4/h5H,1-4H3/t5-/m0/s1
InChIKeyREUPEIPRASIZOF-YFKPBYRVSA-N
MW159.18 g/mol
LogP0.03
Rot. Bonds2

About [(2S)-1-(dimethylamino)-1-oxopropan-2-yl] acetate

[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] acetate (PubChem CID 14241776) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is [(2S)-1-(dimethylamino)-1-oxopropan-2-yl] acetate.

Molecular Properties

Compound Name[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] acetate
PubChem CID14241776
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] acetate
SMILESCC(=O)O[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C7H13NO3/c1-5(11-6(2)9)7(10)8(3)4/h5H,1-4H3/t5-/m0/s1
InChIKeyREUPEIPRASIZOF-YFKPBYRVSA-N
XLogP0.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2S)-1-(dimethylamino)-1-oxopropan-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(dimethylamino)-1-oxopropan-2-yl] acetate?
The IUPAC name of [(2S)-1-(dimethylamino)-1-oxopropan-2-yl] acetate (CID 14241776) is [(2S)-1-(dimethylamino)-1-oxopropan-2-yl] acetate.
What is the SMILES notation for [(2S)-1-(dimethylamino)-1-oxopropan-2-yl] acetate?
The canonical SMILES for [(2S)-1-(dimethylamino)-1-oxopropan-2-yl] acetate is CC(=O)O[C@@H](C)C(=O)N(C)C.
What is the InChIKey of [(2S)-1-(dimethylamino)-1-oxopropan-2-yl] acetate?
The InChIKey is REUPEIPRASIZOF-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(11-6(2)9)7(10)8(3)4/h5H,1-4H3/t5-/m0/s1.
What are the key properties of [(2S)-1-(dimethylamino)-1-oxopropan-2-yl] acetate?
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] acetate has a molecular weight of 159.18 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(dimethylamino)-1-oxopropan-2-yl] acetate is sourced from PubChem (CID 14241776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).