(3S)-3-amino-3-(4-methoxy-3-phenylphenyl)propanoic acid

C16H17NO3 — CID 135366641

IUPAC(3S)-3-amino-3-(4-methoxy-3-phenylphenyl)propanoic acid
SMILESCOc1ccc([C@@H](N)CC(=O)O)cc1-c1ccccc1
InChIInChI=1S/C16H17NO3/c1-20-15-8-7-12(14(17)10-16(18)19)9-13(15)11-5-3-2-4-6-11/h2-9,14H,10,17H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyFHFLIYODILCOLL-AWEZNQCLSA-N
MW271.32 g/mol
LogP2.84
Rot. Bonds5

About (3S)-3-amino-3-(4-methoxy-3-phenylphenyl)propanoic acid

(3S)-3-amino-3-(4-methoxy-3-phenylphenyl)propanoic acid (PubChem CID 135366641) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is (3S)-3-amino-3-(4-methoxy-3-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-3-(4-methoxy-3-phenylphenyl)propanoic acid
PubChem CID135366641
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name(3S)-3-amino-3-(4-methoxy-3-phenylphenyl)propanoic acid
SMILESCOc1ccc([C@@H](N)CC(=O)O)cc1-c1ccccc1
InChIInChI=1S/C16H17NO3/c1-20-15-8-7-12(14(17)10-16(18)19)9-13(15)11-5-3-2-4-6-11/h2-9,14H,10,17H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyFHFLIYODILCOLL-AWEZNQCLSA-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-[3-(2,5-dimethoxyphenyl)phenyl]propanoic acid
CID 135366938
(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
CID 670404
3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid
CID 6484258
(3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid
CID 135365867
(3S)-3-amino-3-[3-(2,6-dimethoxyphenyl)phenyl]propanoic acid
CID 135366920
(3S)-3-amino-3-[3-(3-methoxyphenyl)-4-(trifluoromethoxy)phenyl]propanoic acid
CID 135367055
3-amino-3-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride
CID 162344286
(3S)-3-amino-3-[3-(2,4-dimethoxyphenyl)phenyl]propanoic acid
CID 135366980
3-amino-3-(3-cyano-4-methoxyphenyl)propanoic acid
CID 84787331
1-(4-methoxy-3-phenylphenyl)ethanol
CID 117328991
3-amino-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propanoic acid
CID 25219626
3-amino-3-[4-(2-methoxyphenoxy)phenyl]propanoic acid
CID 135367552

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(4-methoxy-3-phenylphenyl)propanoic acid?
The IUPAC name of (3S)-3-amino-3-(4-methoxy-3-phenylphenyl)propanoic acid (CID 135366641) is (3S)-3-amino-3-(4-methoxy-3-phenylphenyl)propanoic acid.
What is the SMILES notation for (3S)-3-amino-3-(4-methoxy-3-phenylphenyl)propanoic acid?
The canonical SMILES for (3S)-3-amino-3-(4-methoxy-3-phenylphenyl)propanoic acid is COc1ccc([C@@H](N)CC(=O)O)cc1-c1ccccc1.
What is the InChIKey of (3S)-3-amino-3-(4-methoxy-3-phenylphenyl)propanoic acid?
The InChIKey is FHFLIYODILCOLL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17NO3/c1-20-15-8-7-12(14(17)10-16(18)19)9-13(15)11-5-3-2-4-6-11/h2-9,14H,10,17H2,1H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (3S)-3-amino-3-(4-methoxy-3-phenylphenyl)propanoic acid?
(3S)-3-amino-3-(4-methoxy-3-phenylphenyl)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 (3S)-3-amino-3-(4-methoxy-3-phenylphenyl)propanoic acid is sourced from PubChem (CID 135366641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).