ethyl (2R)-2-(3-methylanilino)propanoate

C12H17NO2 — CID 102078711

IUPACethyl (2R)-2-(3-methylanilino)propanoate
SMILESCCOC(=O)[C@@H](C)Nc1cccc(C)c1
InChIInChI=1S/C12H17NO2/c1-4-15-12(14)10(3)13-11-7-5-6-9(2)8-11/h5-8,10,13H,4H2,1-3H3/t10-/m1/s1
InChIKeyLVOOYGCGNGGUBF-SNVBAGLBSA-N
MW207.27 g/mol
LogP2.36
Rot. Bonds4

About ethyl (2R)-2-(3-methylanilino)propanoate

ethyl (2R)-2-(3-methylanilino)propanoate (PubChem CID 102078711) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is ethyl (2R)-2-(3-methylanilino)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(3-methylanilino)propanoate
PubChem CID102078711
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Nameethyl (2R)-2-(3-methylanilino)propanoate
SMILESCCOC(=O)[C@@H](C)Nc1cccc(C)c1
InChIInChI=1S/C12H17NO2/c1-4-15-12(14)10(3)13-11-7-5-6-9(2)8-11/h5-8,10,13H,4H2,1-3H3/t10-/m1/s1
InChIKeyLVOOYGCGNGGUBF-SNVBAGLBSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-methyl-2-(3-methylanilino)butanoate
CID 61318293
ethyl 2-(3-butan-2-yloxyanilino)propanoate
CID 55208911
(2S)-2-(3-methylanilino)propanoic acid
CID 7148356
ethyl 4-methoxy-4-methyl-2-(3-methylanilino)pentanoate
CID 106675959
ethyl 2-(3-methylanilino)-3-methylidene-4-oxohexanoate
CID 101413756
N-butyl-N-methyl-2-(3-methylanilino)propanamide
CID 112501604
N,N-dimethyl-2-(3-methylanilino)propanamide
CID 43085843
ethyl 2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanoate
CID 81361138
ethyl 2-[3-(pyrazol-1-ylmethyl)anilino]propanoate
CID 56805806
N-(2-ethoxyphenyl)-2-(3-methylanilino)propanamide
CID 51242335
N-(3-methylphenyl)-2-(propylamino)propanamide
CID 71772237
ethyl 2-(3-methylanilino)-2-propylpentanoate
CID 63525337

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(3-methylanilino)propanoate?
The IUPAC name of ethyl (2R)-2-(3-methylanilino)propanoate (CID 102078711) is ethyl (2R)-2-(3-methylanilino)propanoate.
What is the SMILES notation for ethyl (2R)-2-(3-methylanilino)propanoate?
The canonical SMILES for ethyl (2R)-2-(3-methylanilino)propanoate is CCOC(=O)[C@@H](C)Nc1cccc(C)c1.
What is the InChIKey of ethyl (2R)-2-(3-methylanilino)propanoate?
The InChIKey is LVOOYGCGNGGUBF-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-15-12(14)10(3)13-11-7-5-6-9(2)8-11/h5-8,10,13H,4H2,1-3H3/t10-/m1/s1.
What are the key properties of ethyl (2R)-2-(3-methylanilino)propanoate?
ethyl (2R)-2-(3-methylanilino)propanoate has a molecular weight of 207.27 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(3-methylanilino)propanoate is sourced from PubChem (CID 102078711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).