2-ethoxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoic acid

C15H23NO4 — CID 63073004

IUPAC2-ethoxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoic acid
SMILESCCOC(CCN(C)Cc1cccc(OC)c1)C(=O)O
InChIInChI=1S/C15H23NO4/c1-4-20-14(15(17)18)8-9-16(2)11-12-6-5-7-13(10-12)19-3/h5-7,10,14H,4,8-9,11H2,1-3H3,(H,17,18)
InChIKeyAHPYEBPRRCGZMV-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.01
Rot. Bonds9

About 2-ethoxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoic acid

2-ethoxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoic acid (PubChem CID 63073004) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-ethoxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoic acid.

Molecular Properties

Compound Name2-ethoxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoic acid
PubChem CID63073004
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-ethoxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoic acid
SMILESCCOC(CCN(C)Cc1cccc(OC)c1)C(=O)O
InChIInChI=1S/C15H23NO4/c1-4-20-14(15(17)18)8-9-16(2)11-12-6-5-7-13(10-12)19-3/h5-7,10,14H,4,8-9,11H2,1-3H3,(H,17,18)
InChIKeyAHPYEBPRRCGZMV-UHFFFAOYSA-N
XLogP2.01
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
4-(dibenzylamino)-2-ethoxybutanoic acid
CID 130158595
5-[(3-methoxyphenyl)methyl-methylamino]pentanoic acid
CID 61417598
1-N-[(3-methoxyphenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine
CID 55098188
2-[(3-methoxyphenyl)methoxy]dodecanoic acid
CID 67004671
ethyl 3-hydroxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoate
CID 82768923
3-(3-methoxyphenyl)-2-(2-methylpropoxy)propanoic acid
CID 133241017
(2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid
CID 100542833
N-heptan-4-yl-N-[(3-methoxyphenyl)methyl]butanamide
CID 71106716
1-N-[(3-methoxyphenyl)methyl]-1-N,3-N,4,4-tetramethylpentane-1,3-diamine
CID 62624272
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol
CID 103737738

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoic acid?
The IUPAC name of 2-ethoxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoic acid (CID 63073004) is 2-ethoxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoic acid.
What is the SMILES notation for 2-ethoxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoic acid?
The canonical SMILES for 2-ethoxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoic acid is CCOC(CCN(C)Cc1cccc(OC)c1)C(=O)O.
What is the InChIKey of 2-ethoxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoic acid?
The InChIKey is AHPYEBPRRCGZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-20-14(15(17)18)8-9-16(2)11-12-6-5-7-13(10-12)19-3/h5-7,10,14H,4,8-9,11H2,1-3H3,(H,17,18).
What are the key properties of 2-ethoxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoic acid?
2-ethoxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoic acid has a molecular weight of 281.35 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(3-methoxyphenyl)methyl-methylamino]butanoic acid is sourced from PubChem (CID 63073004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).