methyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate

C14H21NO3 — CID 110008646

IUPACmethyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate
SMILESCCN(CCC(=O)OC)Cc1ccc(CO)cc1
InChIInChI=1S/C14H21NO3/c1-3-15(9-8-14(17)18-2)10-12-4-6-13(11-16)7-5-12/h4-7,16H,3,8-11H2,1-2H3
InChIKeyRAVRVBYAOHIEBN-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.56
Rot. Bonds7

About methyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate

methyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate (PubChem CID 110008646) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate
PubChem CID110008646
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate
SMILESCCN(CCC(=O)OC)Cc1ccc(CO)cc1
InChIInChI=1S/C14H21NO3/c1-3-15(9-8-14(17)18-2)10-12-4-6-13(11-16)7-5-12/h4-7,16H,3,8-11H2,1-2H3
InChIKeyRAVRVBYAOHIEBN-UHFFFAOYSA-N
XLogP1.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(4-aminophenyl)methyl-ethylamino]butanoate
CID 43383874
methyl 3-[ethyl(furan-3-ylmethyl)amino]propanoate
CID 78918049
methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78983733
methyl 2-[4-(diethylaminomethyl)phenyl]acetate
CID 125041894
methyl 3-[(4-cyano-3-methoxyphenyl)methyl-ethylamino]propanoate
CID 106793293
3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid
CID 65062900
methyl 3-[(4-ethylphenyl)methyl-methylamino]propanoate
CID 60648146
methyl 3-[(2-cyano-4-pyridinyl)methyl-ethylamino]propanoate
CID 63881816
methyl 3-[[4-(aminomethyl)phenyl]methyl-[4-(dipropylamino)butyl]amino]propanoate
CID 59850572
methyl 3-[ethyl-[(2,4,6-trimethylphenyl)methyl]amino]propanoate
CID 62066641
methyl 3-[methyl-[(4-methylphenyl)methyl]amino]propanoate
CID 28830279
methyl 2-[ethyl-[(4-iodophenyl)methyl]amino]acetate
CID 65477944

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate?
The IUPAC name of methyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate (CID 110008646) is methyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate is CCN(CCC(=O)OC)Cc1ccc(CO)cc1.
What is the InChIKey of methyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate?
The InChIKey is RAVRVBYAOHIEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-15(9-8-14(17)18-2)10-12-4-6-13(11-16)7-5-12/h4-7,16H,3,8-11H2,1-2H3.
What are the key properties of methyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate?
methyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate has a molecular weight of 251.33 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate is sourced from PubChem (CID 110008646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).