methyl (3R)-3-anilinobutanoate

C11H15NO2 — CID 11333008

IUPACmethyl (3R)-3-anilinobutanoate
SMILESCOC(=O)C[C@@H](C)Nc1ccccc1
InChIInChI=1S/C11H15NO2/c1-9(8-11(13)14-2)12-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3/t9-/m1/s1
InChIKeyIEYGIYJFTCKIOC-SECBINFHSA-N
MW193.25 g/mol
LogP2.05
Rot. Bonds4

About methyl (3R)-3-anilinobutanoate

methyl (3R)-3-anilinobutanoate (PubChem CID 11333008) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl (3R)-3-anilinobutanoate.

Molecular Properties

Compound Namemethyl (3R)-3-anilinobutanoate
PubChem CID11333008
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl (3R)-3-anilinobutanoate
SMILESCOC(=O)C[C@@H](C)Nc1ccccc1
InChIInChI=1S/C11H15NO2/c1-9(8-11(13)14-2)12-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3/t9-/m1/s1
InChIKeyIEYGIYJFTCKIOC-SECBINFHSA-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 3-anilino-4-methylpentanoate
CID 86003942
methyl 3-(4-ethylanilino)butanoate
CID 43536763
methyl 3-(4-propan-2-yloxyanilino)butanoate
CID 43536837
methyl (3S)-3-anilino-3-phenylpropanoate
CID 10777401
5-anilinohexan-3-one
CID 10397682
methyl 3-(4-ethylsulfonylanilino)butanoate
CID 114283860
methyl 3-benzamidobutanoate
CID 10857046
methyl 3-(benzylamino)butanoate
CID 13416927
methyl 3-(3,5-dimethoxyanilino)butanoate
CID 43536667
1-O-[(2S)-2-anilinopropanoyl] 4-O-methyl (2S)-2-aminobutanedioate
CID 56997215
methyl (3S)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375267
methyl (3R)-3-anilino-3-(4-methylphenyl)propanoate
CID 101375266

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-anilinobutanoate?
The IUPAC name of methyl (3R)-3-anilinobutanoate (CID 11333008) is methyl (3R)-3-anilinobutanoate.
What is the SMILES notation for methyl (3R)-3-anilinobutanoate?
The canonical SMILES for methyl (3R)-3-anilinobutanoate is COC(=O)C[C@@H](C)Nc1ccccc1.
What is the InChIKey of methyl (3R)-3-anilinobutanoate?
The InChIKey is IEYGIYJFTCKIOC-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9(8-11(13)14-2)12-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (3R)-3-anilinobutanoate?
methyl (3R)-3-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 (3R)-3-anilinobutanoate is sourced from PubChem (CID 11333008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).