[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] propanoate

C13H17NO4 — CID 7851261

IUPAC[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] propanoate
SMILESCCC(=O)O[C@H](C)C(=O)Nc1ccccc1OC
InChIInChI=1S/C13H17NO4/c1-4-12(15)18-9(2)13(16)14-10-7-5-6-8-11(10)17-3/h5-9H,4H2,1-3H3,(H,14,16)/t9-/m1/s1
InChIKeyXLCBUJNMOVAPMC-SECBINFHSA-N
MW251.28 g/mol
LogP1.98
Rot. Bonds5

About [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] propanoate

[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] propanoate (PubChem CID 7851261) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] propanoate.

Molecular Properties

Compound Name[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] propanoate
PubChem CID7851261
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] propanoate
SMILESCCC(=O)O[C@H](C)C(=O)Nc1ccccc1OC
InChIInChI=1S/C13H17NO4/c1-4-12(15)18-9(2)13(16)14-10-7-5-6-8-11(10)17-3/h5-9H,4H2,1-3H3,(H,14,16)/t9-/m1/s1
InChIKeyXLCBUJNMOVAPMC-SECBINFHSA-N
XLogP1.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] propanoate with MolForge

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

Launch Full Analysis

Related Compounds

[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 7273832
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate
CID 7265946
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7763591
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate
CID 8527947
1-O-ethyl 4-O-[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (E)-but-2-enedioate
CID 40577642
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-ethoxybenzoate
CID 2629891
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598388
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(1-adamantyl)acetate
CID 7695474
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 2627789
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] propanoate
CID 7851291
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(1R)-cyclopent-2-en-1-yl]acetate
CID 9066003
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 8526094

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] propanoate?
The IUPAC name of [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] propanoate (CID 7851261) is [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] propanoate.
What is the SMILES notation for [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] propanoate?
The canonical SMILES for [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] propanoate is CCC(=O)O[C@H](C)C(=O)Nc1ccccc1OC.
What is the InChIKey of [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] propanoate?
The InChIKey is XLCBUJNMOVAPMC-SECBINFHSA-N. The full InChI is InChI=1S/C13H17NO4/c1-4-12(15)18-9(2)13(16)14-10-7-5-6-8-11(10)17-3/h5-9H,4H2,1-3H3,(H,14,16)/t9-/m1/s1.
What are the key properties of [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] propanoate?
[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] propanoate has a molecular weight of 251.28 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] propanoate is sourced from PubChem (CID 7851261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).