1-Benzhydrylazetidine-3-carboxylic acid

C₁₇H₁₇NO₂CAS 36476-87-6267.33 g/mol

Open in Covalent MOL file

Carboxylic acid Tertiary amine

Properties

Molecular formula: C₁₇H₁₇NO₂
Molar mass: 267.33 g/mol
Exact mass: 267.1259 Da
logP: 2.79Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

36476-87-6

SMILES

C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

InChIKey

BRSCYENHLCPOAU-UHFFFAOYSA-N

InChI

InChI=1S/C17H17NO2/c19-17(20)15-11-18(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,20)

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Names and synonyms

1 names

1-(Diphenylmethyl)azetidine-3-carboxylic acid

Work with 1-Benzhydrylazetidine-3-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Benzhydrylazetidin-3-ol18621-17-553 % similar 1-Benzhydrylazetan-3-ol40432-51-753 % similar Diphenylacetic acid117-34-052 % similar Phenylmalonic acid2613-89-052 % similar 1-(Diphenylmethyl)azetidin-3-one40320-60-351 % similar 1-Benzhydrylazetane-3-carbonitrile36476-86-550 % similar (+)-Phenylsuccinic acid4036-30-050 % similar (R)-(-)-Phenylsuccinic acid46292-93-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-(Diphenylmethylene)glycine ethyl ester69555-14-2

Elsewhere

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