ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate

C14H21NO3 — CID 103234112

IUPACethyl 3-hydroxy-4-(2-phenylethylamino)butanoate
SMILESCCOC(=O)CC(O)CNCCc1ccccc1
InChIInChI=1S/C14H21NO3/c1-2-18-14(17)10-13(16)11-15-9-8-12-6-4-3-5-7-12/h3-7,13,15-16H,2,8-11H2,1H3
InChIKeySGFVDRABJPFWBO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.13
Rot. Bonds8

About ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate

ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate (PubChem CID 103234112) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-(2-phenylethylamino)butanoate
PubChem CID103234112
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 3-hydroxy-4-(2-phenylethylamino)butanoate
SMILESCCOC(=O)CC(O)CNCCc1ccccc1
InChIInChI=1S/C14H21NO3/c1-2-18-14(17)10-13(16)11-15-9-8-12-6-4-3-5-7-12/h3-7,13,15-16H,2,8-11H2,1H3
InChIKeySGFVDRABJPFWBO-UHFFFAOYSA-N
XLogP1.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-hydroxy-4-(3-phenylpropylamino)butanoate
CID 103239817
ethyl 3-hydroxy-4-(2-thiophen-2-ylethylamino)butanoate
CID 103235530
ethyl (2S)-2-(benzylamino)-3-(2-phenylethylamino)propanoate
CID 10936300
ethyl 3-hydroxy-4-[(3-methylphenyl)methylamino]butanoate
CID 103239917
methyl 3-hydroxy-4-[2-(4-methoxyphenyl)ethylamino]butanoate
CID 115123423
ethyl 3-hydroxy-4-[2-(1-methylpyrazol-3-yl)ethylamino]butanoate
CID 114144039
ethyl (3R,5R)-3,5-dihydroxy-9-phenylnonanoate
CID 24766229
ethyl 3-hydroxy-4-(1-phenylethylamino)butanoate
CID 103230788
ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 103240342
ethyl 3-hydroxy-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]butanoate
CID 103251262
ethyl 4-(benzylamino)-3-methylbutanoate
CID 174566345
1-[(2-methylpropan-2-yl)oxy]-3-(2-phenylethylamino)propan-2-ol
CID 60634058

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate?
The IUPAC name of ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate (CID 103234112) is ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate is CCOC(=O)CC(O)CNCCc1ccccc1.
What is the InChIKey of ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate?
The InChIKey is SGFVDRABJPFWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-18-14(17)10-13(16)11-15-9-8-12-6-4-3-5-7-12/h3-7,13,15-16H,2,8-11H2,1H3.
What are the key properties of ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate?
ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate has a molecular weight of 251.33 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate is sourced from PubChem (CID 103234112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).