ethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate

C14H21NO3 — CID 105057990

IUPACethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate
SMILESCCOC(=O)C(C)NC(C)(CO)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-4-18-13(17)11(2)15-14(3,10-16)12-8-6-5-7-9-12/h5-9,11,15-16H,4,10H2,1-3H3
InChIKeyDAOQFDPDOGGQRE-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.44
Rot. Bonds6

About ethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate

ethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate (PubChem CID 105057990) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate
PubChem CID105057990
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate
SMILESCCOC(=O)C(C)NC(C)(CO)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-4-18-13(17)11(2)15-14(3,10-16)12-8-6-5-7-9-12/h5-9,11,15-16H,4,10H2,1-3H3
InChIKeyDAOQFDPDOGGQRE-UHFFFAOYSA-N
XLogP1.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)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

ethyl (2R)-2-(2-phenylpropan-2-ylamino)propanoate
CID 131738265
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-pentan-2-ylpropanamide
CID 105057950
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-pentylpropanamide
CID 105057949
ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059191
N-cyclopropyl-2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanamide
CID 105058005
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-N-(3-methoxypropyl)propanamide
CID 105058024
2-[(1-hydroxy-2-phenylpropan-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 105058043
2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)pentanamide
CID 105058238
(2S)-2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)pentanamide
CID 107570839
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
(2R)-2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylbutanamide
CID 105058270
N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058812

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate (CID 105057990) is ethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate is CCOC(=O)C(C)NC(C)(CO)c1ccccc1.
What is the InChIKey of ethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate?
The InChIKey is DAOQFDPDOGGQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-18-13(17)11(2)15-14(3,10-16)12-8-6-5-7-9-12/h5-9,11,15-16H,4,10H2,1-3H3.
What are the key properties of ethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate?
ethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate has a molecular weight of 251.33 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-hydroxy-2-phenylpropan-2-yl)amino]propanoate is sourced from PubChem (CID 105057990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).