3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid

C14H21NO3 — CID 19776427

IUPAC3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid
SMILESCOc1ccc(CCCN(C)CCC(=O)O)cc1
InChIInChI=1S/C14H21NO3/c1-15(11-9-14(16)17)10-3-4-12-5-7-13(18-2)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,16,17)
InChIKeyQHHMJLHTOWXQDE-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.03
Rot. Bonds8

About 3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid

3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid (PubChem CID 19776427) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid
PubChem CID19776427
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid
SMILESCOc1ccc(CCCN(C)CCC(=O)O)cc1
InChIInChI=1S/C14H21NO3/c1-15(11-9-14(16)17)10-3-4-12-5-7-13(18-2)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,16,17)
InChIKeyQHHMJLHTOWXQDE-UHFFFAOYSA-N
XLogP2.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid
CID 19776431
3-[2,2-dimethylpropyl-[2-(4-methoxyphenyl)ethyl]amino]propanoic acid
CID 119135562
3-[2-(4-methoxyphenyl)ethyl-(2-methylpropyl)amino]propanoic acid
CID 82328947
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987
2-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylacetamide;hydrochloride
CID 119298042
3-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]propanoic acid
CID 82327972
4-[2-(3-methoxyphenyl)ethyl-methylamino]butanoic acid
CID 115218804
N-hydroxy-4-(4-methoxyphenyl)butanamide
CID 53384800
3-[3-hydroxypropyl-[(4-methoxyphenyl)methyl]amino]propanoic acid
CID 82330132
2-[4-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
CID 119208828
4-[4-(4-methoxyphenyl)butanoylamino]-4-methylpentanoic acid
CID 119203801
5-(4-methoxyphenyl)pentanamide
CID 134389506

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid?
The IUPAC name of 3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid (CID 19776427) is 3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid?
The canonical SMILES for 3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid is COc1ccc(CCCN(C)CCC(=O)O)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid?
The InChIKey is QHHMJLHTOWXQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-15(11-9-14(16)17)10-3-4-12-5-7-13(18-2)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,16,17).
What are the key properties of 3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid?
3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)propyl-methylamino]propanoic acid is sourced from PubChem (CID 19776427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).