2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid

C14H21NO3 — CID 43754018

IUPAC2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid
SMILESCCCNC(C)(C(=O)O)c1ccccc1OCC
InChIInChI=1S/C14H21NO3/c1-4-10-15-14(3,13(16)17)11-8-6-7-9-12(11)18-5-2/h6-9,15H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyXSGVKCDTMBCEBT-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.38
Rot. Bonds7

About 2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid

2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid (PubChem CID 43754018) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid
PubChem CID43754018
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid
SMILESCCCNC(C)(C(=O)O)c1ccccc1OCC
InChIInChI=1S/C14H21NO3/c1-4-10-15-14(3,13(16)17)11-8-6-7-9-12(11)18-5-2/h6-9,15H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyXSGVKCDTMBCEBT-UHFFFAOYSA-N
XLogP2.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxyphenyl)-2-(2-methylpropylamino)propanoic acid
CID 61002876
2-(2-ethoxyphenyl)-2-(propylamino)propan-1-ol
CID 61056385
2-(2-ethoxyphenyl)-1,1-difluoro-N-propylpropan-2-amine
CID 80604708
3-(2-ethoxyphenyl)-3-methylbutanoic acid
CID 81003890
3-(2-ethoxyphenyl)-2-fluoro-3-hydroxybutanoic acid
CID 79367358
2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoic acid
CID 83043570
4-(2-ethoxyphenyl)heptan-4-ol
CID 114866097
methyl 2-(2-fluorophenyl)-2-(propylamino)propanoate
CID 60796122
ethyl 2-(2-chlorophenyl)-2-(propylamino)propanoate
CID 60796649
4-(2-ethoxyphenyl)-4-methylpentan-2-one
CID 64717616
2-methyl-2-(2-propoxyphenyl)propanoic acid
CID 104662391
ethyl 3-(2-ethoxyphenyl)-3-hydroxy-2,2-dimethylbutanoate
CID 62399004

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid?
The IUPAC name of 2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid (CID 43754018) is 2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid.
What is the SMILES notation for 2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid?
The canonical SMILES for 2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid is CCCNC(C)(C(=O)O)c1ccccc1OCC.
What is the InChIKey of 2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid?
The InChIKey is XSGVKCDTMBCEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-10-15-14(3,13(16)17)11-8-6-7-9-12(11)18-5-2/h6-9,15H,4-5,10H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid?
2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid is sourced from PubChem (CID 43754018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).