methyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate

C13H19NO2 — CID 60649455

IUPACmethyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate
SMILESCOC(=O)C(C)CNCc1ccccc1C
InChIInChI=1S/C13H19NO2/c1-10-6-4-5-7-12(10)9-14-8-11(2)13(15)16-3/h4-7,11,14H,8-9H2,1-3H3
InChIKeyBNWXVRNRMQHSQE-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.89
Rot. Bonds5

About methyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate

methyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate (PubChem CID 60649455) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate
PubChem CID60649455
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate
SMILESCOC(=O)C(C)CNCc1ccccc1C
InChIInChI=1S/C13H19NO2/c1-10-6-4-5-7-12(10)9-14-8-11(2)13(15)16-3/h4-7,11,14H,8-9H2,1-3H3
InChIKeyBNWXVRNRMQHSQE-UHFFFAOYSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(2-hydroxyphenyl)methylamino]-2-methylpropanoate
CID 114332021
methyl (2R)-3-[(2-chlorophenyl)methylamino]-2-methylpropanoate
CID 93035184
methyl 3-[(2-chlorophenyl)methylamino]-2-methylpropanoate
CID 43398429
methyl 2-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]propanoate
CID 62881824
methyl (2S)-3-(benzylamino)-2-methylpropanoate
CID 7020995
N'-hydroxy-2-methyl-3-[(2-methylphenyl)methylamino]propanimidamide
CID 77028415
1-[(2-methylphenyl)methylamino]propan-2-ol;hydrochloride
CID 17293836
2-amino-3-[(2-methylphenyl)methylamino]propanoic acid
CID 64583841
methyl 2-[(2-methylphenyl)methylamino]butanoate
CID 115353062
3-methyl-1-[(2-methylphenyl)methylamino]pentan-2-ol
CID 111118989
methyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
CID 43398410
methyl 3-(2,6-dimethylanilino)-2-methylpropanoate
CID 82316678

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate?
The IUPAC name of methyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate (CID 60649455) is methyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate is COC(=O)C(C)CNCc1ccccc1C.
What is the InChIKey of methyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate?
The InChIKey is BNWXVRNRMQHSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-6-4-5-7-12(10)9-14-8-11(2)13(15)16-3/h4-7,11,14H,8-9H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate?
methyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate has a molecular weight of 221.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(2-methylphenyl)methylamino]propanoate is sourced from PubChem (CID 60649455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).