(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid

C11H15NO4 — CID 670404

IUPAC(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
SMILESCOc1ccc([C@H](N)CC(=O)O)cc1OC
InChIInChI=1S/C11H15NO4/c1-15-9-4-3-7(5-10(9)16-2)8(12)6-11(13)14/h3-5,8H,6,12H2,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyFGCXSFRGPCUBPW-MRVPVSSYSA-N
MW225.24 g/mol
LogP1.18
Rot. Bonds5

About (3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid

(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid (PubChem CID 670404) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is (3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
PubChem CID670404
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
SMILESCOc1ccc([C@H](N)CC(=O)O)cc1OC
InChIInChI=1S/C11H15NO4/c1-15-9-4-3-7(5-10(9)16-2)8(12)6-11(13)14/h3-5,8H,6,12H2,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyFGCXSFRGPCUBPW-MRVPVSSYSA-N
XLogP1.18
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propanoic acid
CID 25219626
3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid
CID 6484258
bis(methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate);bis(methyl (3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoate)
CID 157337826
3-amino-3-(3-bromo-4-methoxyphenyl)propanoic acid;hydrochloride
CID 162344286
(3S)-3-amino-3-(4-methoxy-3-phenylphenyl)propanoic acid
CID 135366641
3-amino-3-(3-cyano-4-methoxyphenyl)propanoic acid
CID 84787331
3-amino-3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propanoic acid
CID 117476009
3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 170875743
(3S)-3-amino-3-[2-(3,4-dimethoxyphenyl)pyrimidin-5-yl]propanoic acid
CID 40801420
4-amino-4-(3,4-dimethoxyphenyl)-2-methylbutanoic acid
CID 116938376
4-amino-3-(3,4-dimethoxyphenyl)butanoic acid;hydrochloride
CID 57432823
4-amino-4-(3,4-dimethoxyphenyl)butanamide
CID 60862827

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid (CID 670404) is (3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid is COc1ccc([C@H](N)CC(=O)O)cc1OC.
What is the InChIKey of (3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid?
The InChIKey is FGCXSFRGPCUBPW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-15-9-4-3-7(5-10(9)16-2)8(12)6-11(13)14/h3-5,8H,6,12H2,1-2H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid?
(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid has a molecular weight of 225.24 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid is sourced from PubChem (CID 670404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).