3-(ethylamino)-4-methoxy-3-phenylbutanoic acid

C13H19NO3 — CID 103466302

IUPAC3-(ethylamino)-4-methoxy-3-phenylbutanoic acid
SMILESCCNC(COC)(CC(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-3-14-13(10-17-2,9-12(15)16)11-7-5-4-6-8-11/h4-8,14H,3,9-10H2,1-2H3,(H,15,16)
InChIKeyNHWMJYQZEQWGQU-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.61
Rot. Bonds7

About 3-(ethylamino)-4-methoxy-3-phenylbutanoic acid

3-(ethylamino)-4-methoxy-3-phenylbutanoic acid (PubChem CID 103466302) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(ethylamino)-4-methoxy-3-phenylbutanoic acid.

Molecular Properties

Compound Name3-(ethylamino)-4-methoxy-3-phenylbutanoic acid
PubChem CID103466302
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-(ethylamino)-4-methoxy-3-phenylbutanoic acid
SMILESCCNC(COC)(CC(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO3/c1-3-14-13(10-17-2,9-12(15)16)11-7-5-4-6-8-11/h4-8,14H,3,9-10H2,1-2H3,(H,15,16)
InChIKeyNHWMJYQZEQWGQU-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(ethylamino)-4-methoxy-3-phenylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(ethylamino)-4-methoxy-3-phenylbutanamide
CID 103466305
methyl 3-(ethylamino)-3-phenylhexanoate
CID 65235194
4-methoxy-3-(methylamino)-3-phenylbutanamide
CID 103466300
2-(ethylamino)-3-(1-methoxypropan-2-yloxy)-2-phenylpropan-1-ol
CID 64811608
ethyl 3-(ethylamino)-5-methyl-3-phenylhexanoate
CID 65233940
4-methoxy-3-(methylamino)-3-phenylbutan-1-ol
CID 103466320
2-[2-(diethylamino)ethylamino]-3-methoxy-2-phenylpropan-1-ol
CID 103465829
2-(ethylamino)-3-(2-methoxyethylsulfanyl)-2-phenylpropan-1-ol
CID 64821042
3-(ethylamino)-4-(2-methoxyphenyl)-3-methylbutanoic acid
CID 65233656
2-(ethylamino)-3-(4-methylpentan-2-yloxy)-2-phenylpropan-1-ol
CID 64802794
3-methoxy-2-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 64804504
3-(ethylamino)-3-(4-phenylphenyl)butanoic acid
CID 65233928

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4-methoxy-3-phenylbutanoic acid?
The IUPAC name of 3-(ethylamino)-4-methoxy-3-phenylbutanoic acid (CID 103466302) is 3-(ethylamino)-4-methoxy-3-phenylbutanoic acid.
What is the SMILES notation for 3-(ethylamino)-4-methoxy-3-phenylbutanoic acid?
The canonical SMILES for 3-(ethylamino)-4-methoxy-3-phenylbutanoic acid is CCNC(COC)(CC(=O)O)c1ccccc1.
What is the InChIKey of 3-(ethylamino)-4-methoxy-3-phenylbutanoic acid?
The InChIKey is NHWMJYQZEQWGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-14-13(10-17-2,9-12(15)16)11-7-5-4-6-8-11/h4-8,14H,3,9-10H2,1-2H3,(H,15,16).
What are the key properties of 3-(ethylamino)-4-methoxy-3-phenylbutanoic acid?
3-(ethylamino)-4-methoxy-3-phenylbutanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4-methoxy-3-phenylbutanoic acid is sourced from PubChem (CID 103466302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).