ethyl 3-hydroxy-4-(3-phenylpropylamino)butanoate

C15H23NO3 — CID 103239817

IUPACethyl 3-hydroxy-4-(3-phenylpropylamino)butanoate
SMILESCCOC(=O)CC(O)CNCCCc1ccccc1
InChIInChI=1S/C15H23NO3/c1-2-19-15(18)11-14(17)12-16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14,16-17H,2,6,9-12H2,1H3
InChIKeyOKVSRCIRFDRFTL-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.52
Rot. Bonds9

About ethyl 3-hydroxy-4-(3-phenylpropylamino)butanoate

ethyl 3-hydroxy-4-(3-phenylpropylamino)butanoate (PubChem CID 103239817) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-(3-phenylpropylamino)butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-(3-phenylpropylamino)butanoate
PubChem CID103239817
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 3-hydroxy-4-(3-phenylpropylamino)butanoate
SMILESCCOC(=O)CC(O)CNCCCc1ccccc1
InChIInChI=1S/C15H23NO3/c1-2-19-15(18)11-14(17)12-16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14,16-17H,2,6,9-12H2,1H3
InChIKeyOKVSRCIRFDRFTL-UHFFFAOYSA-N
XLogP1.52
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.52
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-(2-phenylethylamino)butanoate
CID 103234112
1-(3-phenylpropylamino)butan-2-ol
CID 60905255
ethyl (3R,5R)-3,5-dihydroxy-9-phenylnonanoate
CID 24766229
ethyl 3-hydroxy-4-(2-thiophen-2-ylethylamino)butanoate
CID 103235530
ethyl 3-hydroxy-4-[(3-methylphenyl)methylamino]butanoate
CID 103239917
1-butoxy-3-(3-phenylpropylamino)propan-2-ol
CID 107262604
ethyl 4-[3-(dimethylamino)propylamino]-3-hydroxybutanoate
CID 103235946
2-methyl-3-(4-phenylbutylamino)propanoic acid
CID 174412747
ethyl 5-(benzylamino)pentanoate;hydrochloride
CID 6602878
ethyl 3-hydroxy-4-(1-phenylethylamino)butanoate
CID 103230788
ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 103240342
ethyl 6-(2-phenylpropylamino)hexanoate
CID 104591443

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-(3-phenylpropylamino)butanoate?
The IUPAC name of ethyl 3-hydroxy-4-(3-phenylpropylamino)butanoate (CID 103239817) is ethyl 3-hydroxy-4-(3-phenylpropylamino)butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-(3-phenylpropylamino)butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-(3-phenylpropylamino)butanoate is CCOC(=O)CC(O)CNCCCc1ccccc1.
What is the InChIKey of ethyl 3-hydroxy-4-(3-phenylpropylamino)butanoate?
The InChIKey is OKVSRCIRFDRFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-19-15(18)11-14(17)12-16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14,16-17H,2,6,9-12H2,1H3.
What are the key properties of ethyl 3-hydroxy-4-(3-phenylpropylamino)butanoate?
ethyl 3-hydroxy-4-(3-phenylpropylamino)butanoate has a molecular weight of 265.35 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-(3-phenylpropylamino)butanoate is sourced from PubChem (CID 103239817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).