methyl 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propanoate

C15H23NO3 — CID 61499553

IUPACmethyl 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propanoate
SMILESCOC(=O)C(C)NCC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-10(2)12-5-7-13(8-6-12)14(17)9-16-11(3)15(18)19-4/h5-8,10-11,14,16-17H,9H2,1-4H3
InChIKeyXBUXXNNRJTZQBX-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.99
Rot. Bonds6

About methyl 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propanoate

methyl 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propanoate (PubChem CID 61499553) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propanoate
PubChem CID61499553
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propanoate
SMILESCOC(=O)C(C)NCC(O)c1ccc(C(C)C)cc1
InChIInChI=1S/C15H23NO3/c1-10(2)12-5-7-13(8-6-12)14(17)9-16-11(3)15(18)19-4/h5-8,10-11,14,16-17H,9H2,1-4H3
InChIKeyXBUXXNNRJTZQBX-UHFFFAOYSA-N
XLogP1.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]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

methyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate
CID 139647161
2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]-N,N-dimethylpropanamide
CID 61464733
ethyl 2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]propanoate
CID 61499161
methyl 2-(2,2-dihydroxyethylamino)propanoate
CID 150482479
methyl 2-[[(2S)-2-hydroxypropyl]amino]propanoate
CID 106931964
2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propan-1-ol
CID 60909048
2-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]amino]propanoic acid
CID 82314338
2-(but-3-yn-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 114416816
2-[(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60885846
2-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]propanoic acid
CID 82313061
N-ethyl-2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propanamide
CID 61476867
1-phenyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 43388825

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propanoate?
The IUPAC name of methyl 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propanoate (CID 61499553) is methyl 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propanoate?
The canonical SMILES for methyl 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propanoate is COC(=O)C(C)NCC(O)c1ccc(C(C)C)cc1.
What is the InChIKey of methyl 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propanoate?
The InChIKey is XBUXXNNRJTZQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(2)12-5-7-13(8-6-12)14(17)9-16-11(3)15(18)19-4/h5-8,10-11,14,16-17H,9H2,1-4H3.
What are the key properties of methyl 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propanoate?
methyl 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propanoate has a molecular weight of 265.35 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]amino]propanoate is sourced from PubChem (CID 61499553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).