ethyl 3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoate

C15H23NO4 — CID 103258076

IUPACethyl 3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoate
SMILESCCOC(=O)CC(O)CN[C@@H](C)c1cccc(OC)c1
InChIInChI=1S/C15H23NO4/c1-4-20-15(18)9-13(17)10-16-11(2)12-6-5-7-14(8-12)19-3/h5-8,11,13,16-17H,4,9-10H2,1-3H3/t11-,13?/m0/s1
InChIKeyIWHCOZUJGWMFMN-AMGKYWFPSA-N
MW281.35 g/mol
LogP1.66
Rot. Bonds8

About ethyl 3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoate

ethyl 3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoate (PubChem CID 103258076) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoate
PubChem CID103258076
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameethyl 3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoate
SMILESCCOC(=O)CC(O)CN[C@@H](C)c1cccc(OC)c1
InChIInChI=1S/C15H23NO4/c1-4-20-15(18)9-13(17)10-16-11(2)12-6-5-7-14(8-12)19-3/h5-8,11,13,16-17H,4,9-10H2,1-3H3/t11-,13?/m0/s1
InChIKeyIWHCOZUJGWMFMN-AMGKYWFPSA-N
XLogP1.66
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoate 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

1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butan-2-ol
CID 81373116
ethyl 3-hydroxy-4-(1-phenylethylamino)butanoate
CID 103230788
ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
CID 65233774
1-N-[1-(3-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913145
3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 104881509
butyl 2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetate
CID 81373195
ethyl 4-[1-(4-cyanophenyl)ethylamino]-3-hydroxybutanoate
CID 103240179
1-(3-methoxyphenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81347397
ethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate
CID 103238482
2-[1-(3-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210619
1-cyclopropyl-2-[1-(3-methoxyphenyl)ethylamino]ethanol
CID 63294846
1-(2-chlorophenyl)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]ethanol
CID 81355347

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoate?
The IUPAC name of ethyl 3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoate (CID 103258076) is ethyl 3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoate is CCOC(=O)CC(O)CN[C@@H](C)c1cccc(OC)c1.
What is the InChIKey of ethyl 3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoate?
The InChIKey is IWHCOZUJGWMFMN-AMGKYWFPSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-20-15(18)9-13(17)10-16-11(2)12-6-5-7-14(8-12)19-3/h5-8,11,13,16-17H,4,9-10H2,1-3H3/t11-,13?/m0/s1.
What are the key properties of ethyl 3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoate?
ethyl 3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoate has a molecular weight of 281.35 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoate is sourced from PubChem (CID 103258076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).