[(2R)-1-anilino-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate

C18H19NO4 — CID 9065135

IUPAC[(2R)-1-anilino-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
SMILESCOCc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H19NO4/c1-13(17(20)19-16-9-4-3-5-10-16)23-18(21)15-8-6-7-14(11-15)12-22-2/h3-11,13H,12H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyUETKNMAWCWKYHK-CYBMUJFWSA-N
MW313.35 g/mol
LogP3.02
Rot. Bonds6

About [(2R)-1-anilino-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate

[(2R)-1-anilino-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate (PubChem CID 9065135) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [(2R)-1-anilino-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate.

Molecular Properties

Compound Name[(2R)-1-anilino-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
PubChem CID9065135
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[(2R)-1-anilino-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
SMILESCOCc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2)c1
InChIInChI=1S/C18H19NO4/c1-13(17(20)19-16-9-4-3-5-10-16)23-18(21)15-8-6-7-14(11-15)12-22-2/h3-11,13H,12H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyUETKNMAWCWKYHK-CYBMUJFWSA-N
XLogP3.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 9065029
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
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[(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 8998646
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
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[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 18197163
[(2R)-1-(2,6-dichloroanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 8998621
(1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate
CID 24687453
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 9065065
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 8998609
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-(methoxymethyl)benzoate
CID 9065094
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 8998637
[(2R)-1-anilino-1-oxopropan-2-yl] 3-fluorobenzoate
CID 2523840

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate?
The IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate (CID 9065135) is [(2R)-1-anilino-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate.
What is the SMILES notation for [(2R)-1-anilino-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate?
The canonical SMILES for [(2R)-1-anilino-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate is COCc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2)c1.
What is the InChIKey of [(2R)-1-anilino-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate?
The InChIKey is UETKNMAWCWKYHK-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19NO4/c1-13(17(20)19-16-9-4-3-5-10-16)23-18(21)15-8-6-7-14(11-15)12-22-2/h3-11,13H,12H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of [(2R)-1-anilino-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate?
[(2R)-1-anilino-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate has a molecular weight of 313.35 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-anilino-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate is sourced from PubChem (CID 9065135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).