ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate

C14H21NO3 — CID 81387523

IUPACethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
SMILESCCOC(=O)C(C)N[C@H](C)c1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-5-18-14(16)11(3)15-10(2)12-8-6-7-9-13(12)17-4/h6-11,15H,5H2,1-4H3/t10-,11?/m1/s1
InChIKeyDOVCDYVHFSRMKE-NFJWQWPMSA-N
MW251.33 g/mol
LogP2.30
Rot. Bonds6

About ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate

ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate (PubChem CID 81387523) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
PubChem CID81387523
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
SMILESCCOC(=O)C(C)N[C@H](C)c1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-5-18-14(16)11(3)15-10(2)12-8-6-7-9-13(12)17-4/h6-11,15H,5H2,1-4H3/t10-,11?/m1/s1
InChIKeyDOVCDYVHFSRMKE-NFJWQWPMSA-N
XLogP2.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[[(1R)-1-(2-methoxyphenyl)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 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81396743
ethyl (2S)-2-(2-methoxyphenyl)propanoate
CID 129388209
methyl 2-[1-(2-methoxyphenyl)ethylamino]-3-methylpentanoate
CID 43732354
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
ethyl 2-[1-(2,6-difluorophenyl)ethylamino]propanoate
CID 54960329
ethyl 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propanoate
CID 81370863
2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide
CID 81387842
1-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-2-amine
CID 113493164
(1R)-N-[1-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373592
ethyl 2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanoate
CID 54960179
ethyl 2-[1-(2,3,4-trichlorophenyl)ethylamino]propanoate
CID 61498523
2-ethoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 81387481

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate?
The IUPAC name of ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate (CID 81387523) is ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate is CCOC(=O)C(C)N[C@H](C)c1ccccc1OC.
What is the InChIKey of ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate?
The InChIKey is DOVCDYVHFSRMKE-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H21NO3/c1-5-18-14(16)11(3)15-10(2)12-8-6-7-9-13(12)17-4/h6-11,15H,5H2,1-4H3/t10-,11?/m1/s1.
What are the key properties of ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate?
ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate has a molecular weight of 251.33 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate is sourced from PubChem (CID 81387523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).