2-[1-(4-propylphenyl)ethylamino]propanoic acid

C14H21NO2 — CID 54959765

IUPAC2-[1-(4-propylphenyl)ethylamino]propanoic acid
SMILESCCCc1ccc(C(C)NC(C)C(=O)O)cc1
InChIInChI=1S/C14H21NO2/c1-4-5-12-6-8-13(9-7-12)10(2)15-11(3)14(16)17/h6-11,15H,4-5H2,1-3H3,(H,16,17)
InChIKeyRDSCGDSFQGXGKC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.76
Rot. Bonds6

About 2-[1-(4-propylphenyl)ethylamino]propanoic acid

2-[1-(4-propylphenyl)ethylamino]propanoic acid (PubChem CID 54959765) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[1-(4-propylphenyl)ethylamino]propanoic acid.

Molecular Properties

Compound Name2-[1-(4-propylphenyl)ethylamino]propanoic acid
PubChem CID54959765
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[1-(4-propylphenyl)ethylamino]propanoic acid
SMILESCCCc1ccc(C(C)NC(C)C(=O)O)cc1
InChIInChI=1S/C14H21NO2/c1-4-5-12-6-8-13(9-7-12)10(2)15-11(3)14(16)17/h6-11,15H,4-5H2,1-3H3,(H,16,17)
InChIKeyRDSCGDSFQGXGKC-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-[1-(4-propylphenyl)ethylamino]propanamide
CID 115672864
2-(4-propylphenyl)propanoic acid
CID 14880971
(2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol
CID 113352326
2-(1-phenylethylamino)propanoic acid;hydrochloride
CID 75479950
N-[1-(4-chlorophenyl)ethyl]-1-(4-propylphenyl)ethanamine
CID 43109909
2-methyl-3-(4-propylphenyl)butanoic acid
CID 79730190
2-[[(1S)-1-(4-propylphenyl)ethyl]amino]acetamide
CID 30045539
2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid
CID 81405988
2-[1-(4-ethylphenyl)ethylamino]-N-methylpropanamide
CID 60674323
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
methyl 2-(4-propylphenyl)propanoate
CID 62801402
(2R)-1-[1-(4-propylphenyl)ethylamino]propan-2-ol
CID 103906705

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-propylphenyl)ethylamino]propanoic acid?
The IUPAC name of 2-[1-(4-propylphenyl)ethylamino]propanoic acid (CID 54959765) is 2-[1-(4-propylphenyl)ethylamino]propanoic acid.
What is the SMILES notation for 2-[1-(4-propylphenyl)ethylamino]propanoic acid?
The canonical SMILES for 2-[1-(4-propylphenyl)ethylamino]propanoic acid is CCCc1ccc(C(C)NC(C)C(=O)O)cc1.
What is the InChIKey of 2-[1-(4-propylphenyl)ethylamino]propanoic acid?
The InChIKey is RDSCGDSFQGXGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-5-12-6-8-13(9-7-12)10(2)15-11(3)14(16)17/h6-11,15H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(4-propylphenyl)ethylamino]propanoic acid?
2-[1-(4-propylphenyl)ethylamino]propanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-propylphenyl)ethylamino]propanoic acid is sourced from PubChem (CID 54959765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).