(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid

C9H12N2O3 — CID 7016830

IUPAC(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
SMILESCOc1ccc([C@@H](N)CC(=O)O)cn1
InChIInChI=1S/C9H12N2O3/c1-14-8-3-2-6(5-11-8)7(10)4-9(12)13/h2-3,5,7H,4,10H2,1H3,(H,12,13)/t7-/m0/s1
InChIKeyJWSDJSZHYFNBEN-ZETCQYMHSA-N
MW196.21 g/mol
LogP0.56
Rot. Bonds4

About (3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid

(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid (PubChem CID 7016830) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
PubChem CID7016830
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
SMILESCOc1ccc([C@@H](N)CC(=O)O)cn1
InChIInChI=1S/C9H12N2O3/c1-14-8-3-2-6(5-11-8)7(10)4-9(12)13/h2-3,5,7H,4,10H2,1H3,(H,12,13)/t7-/m0/s1
InChIKeyJWSDJSZHYFNBEN-ZETCQYMHSA-N
XLogP0.56
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 18000263
(3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55293917
3-(diethylamino)-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 114938682
4,4,4-trifluoro-3-(6-methoxy-3-pyridinyl)butanoic acid
CID 114938498
3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride
CID 170874858
(1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171203594
3-amino-3-(6-phenyl-3-pyridinyl)propanoic acid
CID 156612944
(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
(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24832880
(1R)-3,3-difluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine;hydrochloride
CID 171313628
(1R)-1-(6-methoxy-3-pyridinyl)but-3-en-1-amine
CID 171203601

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid?
The IUPAC name of (3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid (CID 7016830) is (3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid.
What is the SMILES notation for (3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid?
The canonical SMILES for (3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid is COc1ccc([C@@H](N)CC(=O)O)cn1.
What is the InChIKey of (3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid?
The InChIKey is JWSDJSZHYFNBEN-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-14-8-3-2-6(5-11-8)7(10)4-9(12)13/h2-3,5,7H,4,10H2,1H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid?
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid is sourced from PubChem (CID 7016830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).