(2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid

C9H12N2O3 — CID 55268885

IUPAC(2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid
SMILESCOc1cncc(C[C@@H](N)C(=O)O)c1
InChIInChI=1S/C9H12N2O3/c1-14-7-2-6(4-11-5-7)3-8(10)9(12)13/h2,4-5,8H,3,10H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyRZSVPGOEDVAABX-MRVPVSSYSA-N
MW196.21 g/mol
LogP0.04
Rot. Bonds4

About (2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid

(2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid (PubChem CID 55268885) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid
PubChem CID55268885
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid
SMILESCOc1cncc(C[C@@H](N)C(=O)O)c1
InChIInChI=1S/C9H12N2O3/c1-14-7-2-6(4-11-5-7)3-8(10)9(12)13/h2,4-5,8H,3,10H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyRZSVPGOEDVAABX-MRVPVSSYSA-N
XLogP0.04
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 ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride
CID 71742199
2-amino-3-(5-methyl-3-pyridinyl)propanoic acid
CID 55282394
(2R)-2-amino-3-(5-methyl-3-pyridinyl)propanoic acid;dihydrochloride
CID 162344222
2-amino-3-(5-amino-3-pyridinyl)propanoic acid
CID 55283262
(2S)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid
CID 39869077
(2R)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid
CID 39869075
2-amino-3-(5-sulfanyl-3-pyridinyl)propanoic acid
CID 139022717
3-methoxy-5-(2-methylpropyl)pyridine
CID 58531249
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
(2S)-2-amino-3-(5,6-dimethoxy-3-pyridinyl)propanoic acid
CID 169025372
4-(5-methoxy-3-pyridinyl)butan-2-one
CID 69229885
(2S)-2-amino-3-(5-phenyl-3-pyridinyl)propanoic acid
CID 169025030

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid (CID 55268885) is (2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid is COc1cncc(C[C@@H](N)C(=O)O)c1.
What is the InChIKey of (2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid?
The InChIKey is RZSVPGOEDVAABX-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-14-7-2-6(4-11-5-7)3-8(10)9(12)13/h2,4-5,8H,3,10H2,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid?
(2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid is sourced from PubChem (CID 55268885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).