ethyl 3-hydroxy-4-(1-phenylethylamino)butanoate

C14H21NO3 — CID 103230788

IUPACethyl 3-hydroxy-4-(1-phenylethylamino)butanoate
SMILESCCOC(=O)CC(O)CNC(C)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-3-18-14(17)9-13(16)10-15-11(2)12-7-5-4-6-8-12/h4-8,11,13,15-16H,3,9-10H2,1-2H3
InChIKeyCFPNXDFGNGOWQZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.65
Rot. Bonds7

About ethyl 3-hydroxy-4-(1-phenylethylamino)butanoate

ethyl 3-hydroxy-4-(1-phenylethylamino)butanoate (PubChem CID 103230788) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-(1-phenylethylamino)butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-(1-phenylethylamino)butanoate
PubChem CID103230788
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 3-hydroxy-4-(1-phenylethylamino)butanoate
SMILESCCOC(=O)CC(O)CNC(C)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-3-18-14(17)9-13(16)10-15-11(2)12-7-5-4-6-8-12/h4-8,11,13,15-16H,3,9-10H2,1-2H3
InChIKeyCFPNXDFGNGOWQZ-UHFFFAOYSA-N
XLogP1.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-hydroxy-4-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoate
CID 103258076
ethyl 4-[1-(4-cyanophenyl)ethylamino]-3-hydroxybutanoate
CID 103240179
ethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate
CID 103238482
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
ethyl (3R,5S)-3,5-dihydroxy-5-phenylpentanoate
CID 23239477
1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954638
ethyl 3-phenyl-3-(1-phenylethylamino)propanoate
CID 76738630
3-hydroxy-4-[1-(4-methylphenyl)ethylamino]butanoic acid
CID 103246096
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
1-chloro-3-(1-phenylethylamino)propan-2-ol
CID 14089777
ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate
CID 103234112

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-(1-phenylethylamino)butanoate?
The IUPAC name of ethyl 3-hydroxy-4-(1-phenylethylamino)butanoate (CID 103230788) is ethyl 3-hydroxy-4-(1-phenylethylamino)butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-(1-phenylethylamino)butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-(1-phenylethylamino)butanoate is CCOC(=O)CC(O)CNC(C)c1ccccc1.
What is the InChIKey of ethyl 3-hydroxy-4-(1-phenylethylamino)butanoate?
The InChIKey is CFPNXDFGNGOWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-18-14(17)9-13(16)10-15-11(2)12-7-5-4-6-8-12/h4-8,11,13,15-16H,3,9-10H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-4-(1-phenylethylamino)butanoate?
ethyl 3-hydroxy-4-(1-phenylethylamino)butanoate has a molecular weight of 251.33 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-(1-phenylethylamino)butanoate is sourced from PubChem (CID 103230788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).