4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoic acid

C16H25NO3 — CID 20556914

IUPAC4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoic acid
SMILESCCN(CCCC(=O)O)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H25NO3/c1-4-17(11-5-6-16(18)19)13(2)12-14-7-9-15(20-3)10-8-14/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,19)
InChIKeyUZUWRVLVHOYTNN-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.81
Rot. Bonds9

About 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoic acid

4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoic acid (PubChem CID 20556914) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoic acid.

Molecular Properties

Compound Name4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoic acid
PubChem CID20556914
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoic acid
SMILESCCN(CCCC(=O)O)C(C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H25NO3/c1-4-17(11-5-6-16(18)19)13(2)12-14-7-9-15(20-3)10-8-14/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,19)
InChIKeyUZUWRVLVHOYTNN-UHFFFAOYSA-N
XLogP2.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

O-Methyl-L-Tyrosine
CID 2723935
4-(Ethyl(2-(4-methoxyphenyl)-1-methylethyl)amino)-1-butanol
CID 26649
SC 57461
CID 9820433
Secoverine
CID 42470
N-[3-(4-Benzylphenoxy)propyl]-N-Methyl-Beta-Alanine
CID 9820434
N-((2S)-2-(Bis(carboxymethyl)amino)-3-(4-ethoxyphenyl)propyl)-N-(2-(bis(carboxymethyl)amino)ethyl)glycine
CID 219085
methyl 1-[2-(4-methoxyphenyl)ethyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
CID 740861
1-[2-(4-Methoxy-phenyl)-ethyl]-5-oxo-pyrrolidine-3-carboxylic acid
CID 2959483
3-(4-(4-(3-phenylpropoxy)phenyl)-5,6-dihydropyridin-1(2H)-yl)propanoic acid
CID 11360553
1-[2-(4-Benzylphenoxy)ethyl]piperidine-4-carboxylic acid
CID 17830966
1-[(4-Hexoxyphenyl)methyl]-3-methylpiperidine-4-carboxylic acid
CID 46872872
1-[(4-Hexoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 46872874

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoic acid?
The IUPAC name of 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoic acid (CID 20556914) is 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoic acid.
What is the SMILES notation for 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoic acid?
The canonical SMILES for 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoic acid is CCN(CCCC(=O)O)C(C)Cc1ccc(OC)cc1.
What is the InChIKey of 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoic acid?
The InChIKey is UZUWRVLVHOYTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-17(11-5-6-16(18)19)13(2)12-14-7-9-15(20-3)10-8-14/h7-10,13H,4-6,11-12H2,1-3H3,(H,18,19).
What are the key properties of 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoic acid?
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoic acid has a molecular weight of 279.38 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoic acid is sourced from PubChem (CID 20556914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).