(2S)-2-amino-3-(5,6-dimethoxy-3-pyridinyl)propanoic acid

C10H14N2O4 — CID 169025372

IUPAC(2S)-2-amino-3-(5,6-dimethoxy-3-pyridinyl)propanoic acid
SMILESCOc1cc(C[C@H](N)C(=O)O)cnc1OC
InChIInChI=1S/C10H14N2O4/c1-15-8-4-6(3-7(11)10(13)14)5-12-9(8)16-2/h4-5,7H,3,11H2,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeyDJTGWULFSMOTGX-ZETCQYMHSA-N
MW226.23 g/mol
LogP0.05
Rot. Bonds5

About (2S)-2-amino-3-(5,6-dimethoxy-3-pyridinyl)propanoic acid

(2S)-2-amino-3-(5,6-dimethoxy-3-pyridinyl)propanoic acid (PubChem CID 169025372) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is (2S)-2-amino-3-(5,6-dimethoxy-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(5,6-dimethoxy-3-pyridinyl)propanoic acid
PubChem CID169025372
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name(2S)-2-amino-3-(5,6-dimethoxy-3-pyridinyl)propanoic acid
SMILESCOc1cc(C[C@H](N)C(=O)O)cnc1OC
InChIInChI=1S/C10H14N2O4/c1-15-8-4-6(3-7(11)10(13)14)5-12-9(8)16-2/h4-5,7H,3,11H2,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeyDJTGWULFSMOTGX-ZETCQYMHSA-N
XLogP0.05
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-acetyloxy-3,5-dimethoxyphenyl)-2-aminopropanoic acid
CID 170879558
(2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid
CID 55268885
2-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 54846805
2-amino-3-(3,5-difluoro-4-methoxyphenyl)propanoic acid
CID 46737478
(2S)-2-amino-3-(4-chloro-3-methoxyphenyl)propanoic acid
CID 57319937
2-(5,6-dimethoxy-3-pyridinyl)ethanamine
CID 66847650
methyl (2R)-2-amino-3-(5-formyl-6-methoxy-3-pyridinyl)propanoate
CID 123548943
5,6-dimethoxypyridine-3-carboxylic acid
CID 12563086
2-amino-3-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]propanoic acid
CID 3897212
(2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride
CID 71742199
2-amino-3-[4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-3-methoxyphenyl]propanoic acid
CID 170879351
2-amino-3-[4-(cyclopropylmethoxy)-3-methoxyphenyl]propanoic acid
CID 117417115

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(5,6-dimethoxy-3-pyridinyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(5,6-dimethoxy-3-pyridinyl)propanoic acid (CID 169025372) is (2S)-2-amino-3-(5,6-dimethoxy-3-pyridinyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(5,6-dimethoxy-3-pyridinyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(5,6-dimethoxy-3-pyridinyl)propanoic acid is COc1cc(C[C@H](N)C(=O)O)cnc1OC.
What is the InChIKey of (2S)-2-amino-3-(5,6-dimethoxy-3-pyridinyl)propanoic acid?
The InChIKey is DJTGWULFSMOTGX-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-15-8-4-6(3-7(11)10(13)14)5-12-9(8)16-2/h4-5,7H,3,11H2,1-2H3,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-3-(5,6-dimethoxy-3-pyridinyl)propanoic acid?
(2S)-2-amino-3-(5,6-dimethoxy-3-pyridinyl)propanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(5,6-dimethoxy-3-pyridinyl)propanoic acid is sourced from PubChem (CID 169025372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).