methyl 3-amino-3-(4-methylphenyl)propanoate

C11H15NO2 — CID 2769473

IUPACmethyl 3-amino-3-(4-methylphenyl)propanoate
SMILESCOC(=O)CC(N)c1ccc(C)cc1
InChIInChI=1S/C11H15NO2/c1-8-3-5-9(6-4-8)10(12)7-11(13)14-2/h3-6,10H,7,12H2,1-2H3
InChIKeyPNLNOOURNGVKGL-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.56
Rot. Bonds3

About methyl 3-amino-3-(4-methylphenyl)propanoate

methyl 3-amino-3-(4-methylphenyl)propanoate (PubChem CID 2769473) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 3-amino-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-amino-3-(4-methylphenyl)propanoate
PubChem CID2769473
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 3-amino-3-(4-methylphenyl)propanoate
SMILESCOC(=O)CC(N)c1ccc(C)cc1
InChIInChI=1S/C11H15NO2/c1-8-3-5-9(6-4-8)10(12)7-11(13)14-2/h3-6,10H,7,12H2,1-2H3
InChIKeyPNLNOOURNGVKGL-UHFFFAOYSA-N
XLogP1.56
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-amino-3-(4-propan-2-ylphenyl)propanoate;hydrochloride
CID 137346948
methyl (3R)-3-amino-3-[4-(difluoromethyl)phenyl]propanoate
CID 79018359
methyl 4-[(1R)-1-amino-3-methoxy-3-oxopropyl]benzoate
CID 171250582
methyl (3R)-3-amino-3-[4-(methoxymethyl)phenyl]propanoate
CID 79013708
methyl (3S)-3-amino-3-(4-methylsulfonylphenyl)propanoate
CID 171238940
methyl (3S)-3-amino-3-[4-(2-methylpropyl)phenyl]propanoate
CID 79018358
methyl 3-amino-3-(4-cyanophenyl)propanoate
CID 2769464
methyl (3R)-3-hydroxy-3-(4-methylphenyl)propanoate
CID 15081579
methyl (3S)-3-(4-methylphenyl)butanoate
CID 10511947
methyl 2-[2-amino-2-(4-methylphenyl)ethyl]sulfanylacetate
CID 64615416
methyl (3R)-3-amino-3-(4-ethoxyphenyl)propanoate;hydrochloride
CID 171246532
methyl (3S)-3-amino-3-(4-phenoxyphenyl)propanoate
CID 171242566

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-3-(4-methylphenyl)propanoate?
The IUPAC name of methyl 3-amino-3-(4-methylphenyl)propanoate (CID 2769473) is methyl 3-amino-3-(4-methylphenyl)propanoate.
What is the SMILES notation for methyl 3-amino-3-(4-methylphenyl)propanoate?
The canonical SMILES for methyl 3-amino-3-(4-methylphenyl)propanoate is COC(=O)CC(N)c1ccc(C)cc1.
What is the InChIKey of methyl 3-amino-3-(4-methylphenyl)propanoate?
The InChIKey is PNLNOOURNGVKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-3-5-9(6-4-8)10(12)7-11(13)14-2/h3-6,10H,7,12H2,1-2H3.
What are the key properties of methyl 3-amino-3-(4-methylphenyl)propanoate?
methyl 3-amino-3-(4-methylphenyl)propanoate has a molecular weight of 193.25 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 2769473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).