ethyl 2-(aminomethyl)-5-hydroxy-2-phenylpentanoate

C14H21NO3 — CID 106509563

IUPACethyl 2-(aminomethyl)-5-hydroxy-2-phenylpentanoate
SMILESCCOC(=O)C(CN)(CCCO)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-2-18-13(17)14(11-15,9-6-10-16)12-7-4-3-5-8-12/h3-5,7-8,16H,2,6,9-11,15H2,1H3
InChIKeyROIWHVHMTWIIKL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.22
Rot. Bonds7

About ethyl 2-(aminomethyl)-5-hydroxy-2-phenylpentanoate

ethyl 2-(aminomethyl)-5-hydroxy-2-phenylpentanoate (PubChem CID 106509563) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-5-hydroxy-2-phenylpentanoate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-5-hydroxy-2-phenylpentanoate
PubChem CID106509563
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 2-(aminomethyl)-5-hydroxy-2-phenylpentanoate
SMILESCCOC(=O)C(CN)(CCCO)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-2-18-13(17)14(11-15,9-6-10-16)12-7-4-3-5-8-12/h3-5,7-8,16H,2,6,9-11,15H2,1H3
InChIKeyROIWHVHMTWIIKL-UHFFFAOYSA-N
XLogP1.22
TPSA72.55 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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(aminomethyl)-6,6,6-trifluoro-2-phenylhexanoate
CID 106509552
ethyl 2-(aminomethyl)-2-(3-fluorophenyl)-6-hydroxyhexanoate
CID 106490298
ethyl 2-(aminomethyl)-2-(2-fluorophenyl)-6-hydroxyhexanoate
CID 106490555
methyl 2-(aminomethyl)-2-phenylhexanoate
CID 106489213
3-ethoxycarbonyl-3-phenylpentanoic acid
CID 175261723
methyl 2-(aminomethyl)-5-fluoro-2-phenylpentanoate
CID 106489227
ethyl 2-(aminomethyl)-2-phenyl-3-(2,2,2-trifluoroethoxy)propanoate
CID 106706864
2-(aminomethyl)-5-hydroxy-2-(4-methylphenyl)pentanoic acid
CID 106509245
diethyl 2-(hydroxymethyl)-2-phenylpropanedioate
CID 22236963
methyl 2-(aminomethyl)-5-hydroxy-2-(2-methylphenyl)pentanoate
CID 106509046
ethyl 2,3-diamino-2-phenylpropanoate
CID 174452427
ethyl 2-hydroxy-2-methoxy-2-phenylacetate
CID 163409597

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-5-hydroxy-2-phenylpentanoate?
The IUPAC name of ethyl 2-(aminomethyl)-5-hydroxy-2-phenylpentanoate (CID 106509563) is ethyl 2-(aminomethyl)-5-hydroxy-2-phenylpentanoate.
What is the SMILES notation for ethyl 2-(aminomethyl)-5-hydroxy-2-phenylpentanoate?
The canonical SMILES for ethyl 2-(aminomethyl)-5-hydroxy-2-phenylpentanoate is CCOC(=O)C(CN)(CCCO)c1ccccc1.
What is the InChIKey of ethyl 2-(aminomethyl)-5-hydroxy-2-phenylpentanoate?
The InChIKey is ROIWHVHMTWIIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-18-13(17)14(11-15,9-6-10-16)12-7-4-3-5-8-12/h3-5,7-8,16H,2,6,9-11,15H2,1H3.
What are the key properties of ethyl 2-(aminomethyl)-5-hydroxy-2-phenylpentanoate?
ethyl 2-(aminomethyl)-5-hydroxy-2-phenylpentanoate has a molecular weight of 251.33 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-5-hydroxy-2-phenylpentanoate is sourced from PubChem (CID 106509563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).