3-[2-(diethylamino)phenyl]propanoic acid

C13H19NO2 — CID 28807035

IUPAC3-[2-(diethylamino)phenyl]propanoic acid
SMILESCCN(CC)c1ccccc1CCC(=O)O
InChIInChI=1S/C13H19NO2/c1-3-14(4-2)12-8-6-5-7-11(12)9-10-13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyPVZIRULNZMGMRX-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.55
Rot. Bonds6

About 3-[2-(diethylamino)phenyl]propanoic acid

3-[2-(diethylamino)phenyl]propanoic acid (PubChem CID 28807035) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[2-(diethylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(diethylamino)phenyl]propanoic acid
PubChem CID28807035
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-[2-(diethylamino)phenyl]propanoic acid
SMILESCCN(CC)c1ccccc1CCC(=O)O
InChIInChI=1S/C13H19NO2/c1-3-14(4-2)12-8-6-5-7-11(12)9-10-13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyPVZIRULNZMGMRX-UHFFFAOYSA-N
XLogP2.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(diethylamino)phenyl]propanal
CID 117293834
3-[2-(diethylamino)phenyl]-2-methylpropanoic acid
CID 117342727
N,N-diethyl-2-tetradecylaniline
CID 174968548
N,N-diethyl-2-heptadecylaniline
CID 175210337
3-(N-[2-(diethylamino)-2-oxoethyl]-2-ethylanilino)propanoic acid
CID 95529076
3-[[2-(diethylamino)phenyl]methyl]-5-phenylpent-4-yn-2-one
CID 135079321
N,N-diethyl-2-octylaniline;hydrobromide
CID 175207974
N,N-diethyl-2-pentadecylaniline;hydrochloride
CID 174968496
N,N-diethyl-2-nonadecylaniline;hydrochloride
CID 175368767
N-[2-[2-(diethylamino)phenyl]ethyl]methanesulfonamide
CID 18921278
3-[2-(2-sulfanylethyl)phenyl]propanoic acid
CID 130239903
3-(2-fluorophenyl)propanoic acid
CID 2063866

Frequently Asked Questions

What is the IUPAC name of 3-[2-(diethylamino)phenyl]propanoic acid?
The IUPAC name of 3-[2-(diethylamino)phenyl]propanoic acid (CID 28807035) is 3-[2-(diethylamino)phenyl]propanoic acid.
What is the SMILES notation for 3-[2-(diethylamino)phenyl]propanoic acid?
The canonical SMILES for 3-[2-(diethylamino)phenyl]propanoic acid is CCN(CC)c1ccccc1CCC(=O)O.
What is the InChIKey of 3-[2-(diethylamino)phenyl]propanoic acid?
The InChIKey is PVZIRULNZMGMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-14(4-2)12-8-6-5-7-11(12)9-10-13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16).
What are the key properties of 3-[2-(diethylamino)phenyl]propanoic acid?
3-[2-(diethylamino)phenyl]propanoic acid has a molecular weight of 221.30 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(diethylamino)phenyl]propanoic acid is sourced from PubChem (CID 28807035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).