methyl (2R)-2-(2,4,6-trimethylanilino)propanoate

C13H19NO2 — CID 6940438

IUPACmethyl (2R)-2-(2,4,6-trimethylanilino)propanoate
SMILESCOC(=O)[C@@H](C)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C13H19NO2/c1-8-6-9(2)12(10(3)7-8)14-11(4)13(15)16-5/h6-7,11,14H,1-5H3/t11-/m1/s1
InChIKeyJOPXXCORTMWJHX-LLVKDONJSA-N
MW221.30 g/mol
LogP2.59
Rot. Bonds3

About methyl (2R)-2-(2,4,6-trimethylanilino)propanoate

methyl (2R)-2-(2,4,6-trimethylanilino)propanoate (PubChem CID 6940438) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl (2R)-2-(2,4,6-trimethylanilino)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(2,4,6-trimethylanilino)propanoate
PubChem CID6940438
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl (2R)-2-(2,4,6-trimethylanilino)propanoate
SMILESCOC(=O)[C@@H](C)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C13H19NO2/c1-8-6-9(2)12(10(3)7-8)14-11(4)13(15)16-5/h6-7,11,14H,1-5H3/t11-/m1/s1
InChIKeyJOPXXCORTMWJHX-LLVKDONJSA-N
XLogP2.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Metalaxyl
CID 42586
(R)-Metalaxyl
CID 11150163
N-(2-Ethyl-6-methylphenyl)-L-alanine
CID 12785745
2-[(4-Methylphenyl)amino]acetic acid
CID 242236
Benzenamine, 2-ethyl-N-[(1S)-2-methoxy-1-methylethyl]-6-methyl-
CID 10130489
2-(N-[(2R)-1-Methoxy-1-oxopropan-2-yl]-2,6-dimethylanilino)-2-oxoacetic acid
CID 139596642
(4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester
CID 302677
3-(2,6-Dimethylanilino)oxolan-2-one
CID 12491481
Methyl N-(2,6-dimethylphenyl)-DL-alaninate
CID 94555
Benzenamine, N-(2-methoxyethyl)-2,6-dimethyl-
CID 170858
Ethyl [(3-methylphenyl)amino]acetate
CID 302673
Methyl N-(formyl)-N-(2,6-xylyl)-DL-alaninate
CID 86040650

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2,4,6-trimethylanilino)propanoate?
The IUPAC name of methyl (2R)-2-(2,4,6-trimethylanilino)propanoate (CID 6940438) is methyl (2R)-2-(2,4,6-trimethylanilino)propanoate.
What is the SMILES notation for methyl (2R)-2-(2,4,6-trimethylanilino)propanoate?
The canonical SMILES for methyl (2R)-2-(2,4,6-trimethylanilino)propanoate is COC(=O)[C@@H](C)Nc1c(C)cc(C)cc1C.
What is the InChIKey of methyl (2R)-2-(2,4,6-trimethylanilino)propanoate?
The InChIKey is JOPXXCORTMWJHX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8-6-9(2)12(10(3)7-8)14-11(4)13(15)16-5/h6-7,11,14H,1-5H3/t11-/m1/s1.
What are the key properties of methyl (2R)-2-(2,4,6-trimethylanilino)propanoate?
methyl (2R)-2-(2,4,6-trimethylanilino)propanoate has a molecular weight of 221.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2,4,6-trimethylanilino)propanoate is sourced from PubChem (CID 6940438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).