methyl (2R)-2-anilinobutanoate

C11H15NO2 — CID 51891380

IUPACmethyl (2R)-2-anilinobutanoate
SMILESCC[C@@H](Nc1ccccc1)C(=O)OC
InChIInChI=1S/C11H15NO2/c1-3-10(11(13)14-2)12-9-7-5-4-6-8-9/h4-8,10,12H,3H2,1-2H3/t10-/m1/s1
InChIKeySQLUKUXIOGDAKO-SNVBAGLBSA-N
MW193.25 g/mol
LogP2.05
Rot. Bonds4

About methyl (2R)-2-anilinobutanoate

methyl (2R)-2-anilinobutanoate (PubChem CID 51891380) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl (2R)-2-anilinobutanoate.

Molecular Properties

Compound Namemethyl (2R)-2-anilinobutanoate
PubChem CID51891380
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl (2R)-2-anilinobutanoate
SMILESCC[C@@H](Nc1ccccc1)C(=O)OC
InChIInChI=1S/C11H15NO2/c1-3-10(11(13)14-2)12-9-7-5-4-6-8-9/h4-8,10,12H,3H2,1-2H3/t10-/m1/s1
InChIKeySQLUKUXIOGDAKO-SNVBAGLBSA-N
XLogP2.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-anilinopentanoate
CID 60992581
methyl 2-[4-(methoxycarbonylamino)anilino]butanoate
CID 115352842
methyl 2-anilino-4,4-dimethylpentanoate
CID 55156393
methyl 2-anilinooctanoate
CID 54889679
methyl 2-(4-methylsulfonylanilino)butanoate
CID 113292297
methyl 2-[4-(ethylcarbamoyl)anilino]butanoate
CID 115352826
2-anilino-N,N-dimethylbutanamide
CID 137320686
methyl 2-[4-(sulfamoylmethyl)anilino]butanoate
CID 115352982
methyl 2-[3-(2-methoxyethoxy)anilino]butanoate
CID 115353122
methyl 2-(2-tert-butylanilino)butanoate
CID 113292387
methyl 2-anilinopropanoate
CID 3417283
(2R)-2-anilino-4-ethoxy-4-oxobutanoic acid
CID 70072361

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-anilinobutanoate?
The IUPAC name of methyl (2R)-2-anilinobutanoate (CID 51891380) is methyl (2R)-2-anilinobutanoate.
What is the SMILES notation for methyl (2R)-2-anilinobutanoate?
The canonical SMILES for methyl (2R)-2-anilinobutanoate is CC[C@@H](Nc1ccccc1)C(=O)OC.
What is the InChIKey of methyl (2R)-2-anilinobutanoate?
The InChIKey is SQLUKUXIOGDAKO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-10(11(13)14-2)12-9-7-5-4-6-8-9/h4-8,10,12H,3H2,1-2H3/t10-/m1/s1.
What are the key properties of methyl (2R)-2-anilinobutanoate?
methyl (2R)-2-anilinobutanoate has a molecular weight of 193.25 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-anilinobutanoate is sourced from PubChem (CID 51891380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).