methyl (2R)-2-(2,4-dimethylanilino)propanoate

C12H17NO2 — CID 94188227

IUPACmethyl (2R)-2-(2,4-dimethylanilino)propanoate
SMILESCOC(=O)[C@@H](C)Nc1ccc(C)cc1C
InChIInChI=1S/C12H17NO2/c1-8-5-6-11(9(2)7-8)13-10(3)12(14)15-4/h5-7,10,13H,1-4H3/t10-/m1/s1
InChIKeyMEVNIKNMZCZKRZ-SNVBAGLBSA-N
MW207.27 g/mol
LogP2.28
Rot. Bonds3

About methyl (2R)-2-(2,4-dimethylanilino)propanoate

methyl (2R)-2-(2,4-dimethylanilino)propanoate (PubChem CID 94188227) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl (2R)-2-(2,4-dimethylanilino)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(2,4-dimethylanilino)propanoate
PubChem CID94188227
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl (2R)-2-(2,4-dimethylanilino)propanoate
SMILESCOC(=O)[C@@H](C)Nc1ccc(C)cc1C
InChIInChI=1S/C12H17NO2/c1-8-5-6-11(9(2)7-8)13-10(3)12(14)15-4/h5-7,10,13H,1-4H3/t10-/m1/s1
InChIKeyMEVNIKNMZCZKRZ-SNVBAGLBSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-amino-4-methylanilino)propanoate
CID 61499476
tert-butyl 2-(2,4-dimethylanilino)propanoate
CID 66337211
methyl 2-(4-chloro-2-methylanilino)propanoate
CID 60666871
2-(2,4-dimethylanilino)propanoic acid
CID 13138173
methyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]-3-methylbenzoate
CID 66174126
2-(2,4-dimethylanilino)propanehydrazide
CID 23861884
methyl 2-(4,5-dimethoxy-2-methylanilino)propanoate
CID 60666932
methyl 2-(5-amino-2-methylanilino)propanoate
CID 62590331
methyl (2S)-2-(4-methylanilino)propanoate
CID 6940435
(2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973673
methyl 2-[2-methyl-4-(1,3,4-oxadiazol-2-yl)anilino]propanoate
CID 66174734
2-(2,4-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083827

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2,4-dimethylanilino)propanoate?
The IUPAC name of methyl (2R)-2-(2,4-dimethylanilino)propanoate (CID 94188227) is methyl (2R)-2-(2,4-dimethylanilino)propanoate.
What is the SMILES notation for methyl (2R)-2-(2,4-dimethylanilino)propanoate?
The canonical SMILES for methyl (2R)-2-(2,4-dimethylanilino)propanoate is COC(=O)[C@@H](C)Nc1ccc(C)cc1C.
What is the InChIKey of methyl (2R)-2-(2,4-dimethylanilino)propanoate?
The InChIKey is MEVNIKNMZCZKRZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-5-6-11(9(2)7-8)13-10(3)12(14)15-4/h5-7,10,13H,1-4H3/t10-/m1/s1.
What are the key properties of methyl (2R)-2-(2,4-dimethylanilino)propanoate?
methyl (2R)-2-(2,4-dimethylanilino)propanoate has a molecular weight of 207.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2,4-dimethylanilino)propanoate is sourced from PubChem (CID 94188227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).