3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid

C16H17NO3 — CID 82366864

IUPAC3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
SMILESCOc1ccc(-c2ccc(C(N)CC(=O)O)cc2)cc1
InChIInChI=1S/C16H17NO3/c1-20-14-8-6-12(7-9-14)11-2-4-13(5-3-11)15(17)10-16(18)19/h2-9,15H,10,17H2,1H3,(H,18,19)
InChIKeyLLADMSQUOXDJLL-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.84
Rot. Bonds5

About 3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid

3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid (PubChem CID 82366864) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
PubChem CID82366864
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
SMILESCOc1ccc(-c2ccc(C(N)CC(=O)O)cc2)cc1
InChIInChI=1S/C16H17NO3/c1-20-14-8-6-12(7-9-14)11-2-4-13(5-3-11)15(17)10-16(18)19/h2-9,15H,10,17H2,1H3,(H,18,19)
InChIKeyLLADMSQUOXDJLL-UHFFFAOYSA-N
XLogP2.84
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24832880
(3R)-3-amino-3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propanoic acid
CID 26581852
(3S)-3-amino-3-[2-(4-methoxyphenyl)pyrimidin-5-yl]propanoic acid
CID 26581848
3-amino-3-[4-(2-methoxyphenoxy)phenyl]propanoic acid
CID 135367552
4-amino-4-(4-methoxyphenyl)butanoic acid;hydrochloride
CID 71757574
3-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride
CID 155888018
(3S)-3-amino-3-(4-pyridin-4-ylphenyl)propanoic acid
CID 124679314
(3R)-3-amino-3-[4-(2-methylpropoxy)phenyl]propanoic acid
CID 776432
(3R)-3-amino-3-(4-propoxyphenyl)propanoic acid
CID 2060966
(3S)-3-amino-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 101486990
(2S,4S)-2,4-diamino-4-(4-methoxyphenyl)butanoic acid
CID 129462911
(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
CID 670404

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid?
The IUPAC name of 3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid (CID 82366864) is 3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid.
What is the SMILES notation for 3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid?
The canonical SMILES for 3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid is COc1ccc(-c2ccc(C(N)CC(=O)O)cc2)cc1.
What is the InChIKey of 3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid?
The InChIKey is LLADMSQUOXDJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-20-14-8-6-12(7-9-14)11-2-4-13(5-3-11)15(17)10-16(18)19/h2-9,15H,10,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid?
3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid has a molecular weight of 271.32 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid is sourced from PubChem (CID 82366864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).