[(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate

C13H15NO3 — CID 2511050

IUPAC[(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate
SMILESC[C@@H](OC(=O)C1CC1)C(=O)Nc1ccccc1
InChIInChI=1S/C13H15NO3/c1-9(17-13(16)10-7-8-10)12(15)14-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyPUCPKLAADSRKNI-SECBINFHSA-N
MW233.27 g/mol
LogP1.97
Rot. Bonds4

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

[(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate (PubChem CID 2511050) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is [(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate
PubChem CID2511050
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name[(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate
SMILESC[C@@H](OC(=O)C1CC1)C(=O)Nc1ccccc1
InChIInChI=1S/C13H15NO3/c1-9(17-13(16)10-7-8-10)12(15)14-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyPUCPKLAADSRKNI-SECBINFHSA-N
XLogP1.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-anilino-1-oxopropan-2-yl) 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 55320775
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2363250
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 7863542
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] cyclopropanecarboxylate
CID 2511069
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836659
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclobutanecarboxylate
CID 7717348
[1-(4-fluoroanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 42900728
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717556
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] cyclohexanecarboxylate
CID 40609067
[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] cyclopropanecarboxylate
CID 7863711
[(2S)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 2396184
[(2S)-1-anilino-1-oxopropan-2-yl] acetate
CID 7000051

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate?
The IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate (CID 2511050) is [(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate.
What is the SMILES notation for [(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate?
The canonical SMILES for [(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate is C[C@@H](OC(=O)C1CC1)C(=O)Nc1ccccc1.
What is the InChIKey of [(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate?
The InChIKey is PUCPKLAADSRKNI-SECBINFHSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9(17-13(16)10-7-8-10)12(15)14-11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of [(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate?
[(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate has a molecular weight of 233.27 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-anilino-1-oxopropan-2-yl] cyclopropanecarboxylate is sourced from PubChem (CID 2511050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).