3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid

C14H19NO4 — CID 65062900

IUPAC3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)Cc1ccc(C(=O)OC)cc1
InChIInChI=1S/C14H19NO4/c1-3-15(9-8-13(16)17)10-11-4-6-12(7-5-11)14(18)19-2/h4-7H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyOVJVFZZNPSRRDE-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.77
Rot. Bonds7

About 3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid

3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid (PubChem CID 65062900) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid
PubChem CID65062900
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)Cc1ccc(C(=O)OC)cc1
InChIInChI=1S/C14H19NO4/c1-3-15(9-8-13(16)17)10-11-4-6-12(7-5-11)14(18)19-2/h4-7H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyOVJVFZZNPSRRDE-UHFFFAOYSA-N
XLogP1.77
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[(3-amino-3-sulfanylidenepropyl)-ethylamino]methyl]benzoate
CID 54992792
2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid
CID 65064783
methyl 4-[[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]methyl]benzoate
CID 34673655
3-[cyclopropyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid
CID 65054438
3-(4-methoxycarbonylphenyl)propanoic acid
CID 22716688
3-[ethyl-[(4-methoxy-3-methylphenyl)methyl]amino]propanoic acid
CID 65062420
methyl 3-[ethyl-[[4-(hydroxymethyl)phenyl]methyl]amino]propanoate
CID 110008646
methyl 3-[3-[benzyl(ethyl)amino]propanoylamino]benzoate
CID 109023114
methyl 4-[[[4-(aminomethyl)phenyl]methyl-benzylamino]methyl]benzoate
CID 142934382
ethyl 4-(diethylaminomethyl)benzoate
CID 786451
methyl 4-[[4-(diethylaminomethyl)phenyl]sulfamoylmethyl]benzoate
CID 92681479
methyl 4-[[bis(prop-2-enyl)amino]methyl]benzoate
CID 10263907

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid (CID 65062900) is 3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid is CCN(CCC(=O)O)Cc1ccc(C(=O)OC)cc1.
What is the InChIKey of 3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid?
The InChIKey is OVJVFZZNPSRRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-15(9-8-13(16)17)10-11-4-6-12(7-5-11)14(18)19-2/h4-7H,3,8-10H2,1-2H3,(H,16,17).
What are the key properties of 3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid?
3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid is sourced from PubChem (CID 65062900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).