[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate

C14H17NO4 — CID 7863542

IUPAC[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
SMILESCOc1cccc(NC(=O)[C@@H](C)OC(=O)C2CC2)c1
InChIInChI=1S/C14H17NO4/c1-9(19-14(17)10-6-7-10)13(16)15-11-4-3-5-12(8-11)18-2/h3-5,8-10H,6-7H2,1-2H3,(H,15,16)/t9-/m1/s1
InChIKeyQCDLIBOOHALZEB-SECBINFHSA-N
MW263.29 g/mol
LogP1.98
Rot. Bonds5

About [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate

[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate (PubChem CID 7863542) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
PubChem CID7863542
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
SMILESCOc1cccc(NC(=O)[C@@H](C)OC(=O)C2CC2)c1
InChIInChI=1S/C14H17NO4/c1-9(19-14(17)10-6-7-10)13(16)15-11-4-3-5-12(8-11)18-2/h3-5,8-10H,6-7H2,1-2H3,(H,15,16)/t9-/m1/s1
InChIKeyQCDLIBOOHALZEB-SECBINFHSA-N
XLogP1.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 24662026
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2363250
[(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2511050
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] cyclobutanecarboxylate
CID 8019081
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717472
methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8741714
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] cyclopentanecarboxylate
CID 42900734
[(2S)-1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] cyclohexanecarboxylate
CID 26747601
(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
CID 6591303
ethyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate
CID 8931188
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2396184

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate?
The IUPAC name of [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate (CID 7863542) is [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate.
What is the SMILES notation for [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate?
The canonical SMILES for [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate is COc1cccc(NC(=O)[C@@H](C)OC(=O)C2CC2)c1.
What is the InChIKey of [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate?
The InChIKey is QCDLIBOOHALZEB-SECBINFHSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9(19-14(17)10-6-7-10)13(16)15-11-4-3-5-12(8-11)18-2/h3-5,8-10H,6-7H2,1-2H3,(H,15,16)/t9-/m1/s1.
What are the key properties of [(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate?
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate has a molecular weight of 263.29 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-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate is sourced from PubChem (CID 7863542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).