methyl 2-amino-3-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)propanoate

C16H24N2O2 — CID 170884134

IUPACmethyl 2-amino-3-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)propanoate
SMILESCOC(=O)C(N)Cc1cc(C)c(N2CCCC2)cc1C
InChIInChI=1S/C16H24N2O2/c1-11-9-15(18-6-4-5-7-18)12(2)8-13(11)10-14(17)16(19)20-3/h8-9,14H,4-7,10,17H2,1-3H3
InChIKeyUATBWMMZZPIVDT-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.95
Rot. Bonds4

About methyl 2-amino-3-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)propanoate

methyl 2-amino-3-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)propanoate (PubChem CID 170884134) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl 2-amino-3-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)propanoate
PubChem CID170884134
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namemethyl 2-amino-3-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)propanoate
SMILESCOC(=O)C(N)Cc1cc(C)c(N2CCCC2)cc1C
InChIInChI=1S/C16H24N2O2/c1-11-9-15(18-6-4-5-7-18)12(2)8-13(11)10-14(17)16(19)20-3/h8-9,14H,4-7,10,17H2,1-3H3
InChIKeyUATBWMMZZPIVDT-UHFFFAOYSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-amino-3-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-amino-3-(2-chloro-5-methyl-4-pyrrolidin-1-ylphenyl)propanoate
CID 170885766
methyl 2-amino-3-(2-methoxy-4-piperidin-1-ylphenyl)propanoate
CID 170884232
methyl (2S)-2-amino-3-(2,4-dimethylphenyl)propanoate
CID 91978759
methyl 2-amino-3-(2-ethoxy-4-pyrrolidin-1-ylphenyl)propanoate
CID 170884554
methyl (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate
CID 20846170
methyl (2R)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate
CID 15730454
ethyl 2-amino-3-(2,5-dichloro-4-piperidin-1-ylphenyl)propanoate
CID 170885745
methyl 2-amino-3-(2-methyl-4-phenylphenyl)propanoate
CID 174643019
methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate
CID 112519692
methyl 2-amino-3-(2,5-dichloro-4-morpholin-4-ylphenyl)propanoate
CID 170884270
methyl 2-amino-3-(2-hydroxy-5-methoxy-3-methylphenyl)propanoate
CID 170884303
1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)propan-2-amine
CID 170864539

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)propanoate?
The IUPAC name of methyl 2-amino-3-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)propanoate (CID 170884134) is methyl 2-amino-3-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)propanoate?
The canonical SMILES for methyl 2-amino-3-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)propanoate is COC(=O)C(N)Cc1cc(C)c(N2CCCC2)cc1C.
What is the InChIKey of methyl 2-amino-3-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)propanoate?
The InChIKey is UATBWMMZZPIVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11-9-15(18-6-4-5-7-18)12(2)8-13(11)10-14(17)16(19)20-3/h8-9,14H,4-7,10,17H2,1-3H3.
What are the key properties of methyl 2-amino-3-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)propanoate?
methyl 2-amino-3-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)propanoate has a molecular weight of 276.38 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)propanoate is sourced from PubChem (CID 170884134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).