methyl 2-(benzylamino)-2-methylpropanoate

C12H17NO2 — CID 12707382

IUPACmethyl 2-(benzylamino)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCc1ccccc1
InChIInChI=1S/C12H17NO2/c1-12(2,11(14)15-3)13-9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3
InChIKeyKUNCAPUPQSDZCY-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.73
Rot. Bonds4

About methyl 2-(benzylamino)-2-methylpropanoate

methyl 2-(benzylamino)-2-methylpropanoate (PubChem CID 12707382) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl 2-(benzylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(benzylamino)-2-methylpropanoate
PubChem CID12707382
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl 2-(benzylamino)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NCc1ccccc1
InChIInChI=1S/C12H17NO2/c1-12(2,11(14)15-3)13-9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3
InChIKeyKUNCAPUPQSDZCY-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-carbamoylphenyl)methylamino]-2-methylpropanoate
CID 43787220
methyl 2-[(2-ethylphenyl)methylamino]-2-methylpropanoate
CID 62391585
methyl 2-methyl-2-[[4-(methylcarbamoyl)phenyl]methylamino]propanoate
CID 54888825
methyl 2-(furan-3-ylmethylamino)-2-methylpropanoate
CID 63204726
methyl 2-[(3,4-dihydroxyphenyl)methylamino]-2-methylpropanoate
CID 43725940
methyl 2-(benzylamino)-2-cyclohexylpropanoate
CID 63320778
methyl 3-(benzylamino)-2,2-dimethyl-3-oxopropanoate
CID 15185516
2-(benzylamino)-N,N,2-trimethylpropanamide;hydrochloride
CID 115618466
methyl 2-(benzylamino)-2,3-diphenylpropanoate
CID 113225267
methyl 2-[(2,6-difluorophenyl)methylamino]-2-methylpropanoate
CID 43725907
2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid
CID 65265422
methyl 2-methyl-2-[(5-phenyl-2H-triazol-4-yl)methylamino]propanoate
CID 63643314

Frequently Asked Questions

What is the IUPAC name of methyl 2-(benzylamino)-2-methylpropanoate?
The IUPAC name of methyl 2-(benzylamino)-2-methylpropanoate (CID 12707382) is methyl 2-(benzylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(benzylamino)-2-methylpropanoate?
The canonical SMILES for methyl 2-(benzylamino)-2-methylpropanoate is COC(=O)C(C)(C)NCc1ccccc1.
What is the InChIKey of methyl 2-(benzylamino)-2-methylpropanoate?
The InChIKey is KUNCAPUPQSDZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,11(14)15-3)13-9-10-7-5-4-6-8-10/h4-8,13H,9H2,1-3H3.
What are the key properties of methyl 2-(benzylamino)-2-methylpropanoate?
methyl 2-(benzylamino)-2-methylpropanoate has a molecular weight of 207.27 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzylamino)-2-methylpropanoate is sourced from PubChem (CID 12707382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).