(3R)-3-hydroxy-3-(4-methoxy-2-pyridinyl)propanoic acid

C9H11NO4 — CID 96858377

IUPAC(3R)-3-hydroxy-3-(4-methoxy-2-pyridinyl)propanoic acid
SMILESCOc1ccnc([C@H](O)CC(=O)O)c1
InChIInChI=1S/C9H11NO4/c1-14-6-2-3-10-7(4-6)8(11)5-9(12)13/h2-4,8,11H,5H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyDPFPDZZVYYRYEH-MRVPVSSYSA-N
MW197.19 g/mol
LogP0.60
Rot. Bonds4

About (3R)-3-hydroxy-3-(4-methoxy-2-pyridinyl)propanoic acid

(3R)-3-hydroxy-3-(4-methoxy-2-pyridinyl)propanoic acid (PubChem CID 96858377) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-(4-methoxy-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-(4-methoxy-2-pyridinyl)propanoic acid
PubChem CID96858377
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name(3R)-3-hydroxy-3-(4-methoxy-2-pyridinyl)propanoic acid
SMILESCOc1ccnc([C@H](O)CC(=O)O)c1
InChIInChI=1S/C9H11NO4/c1-14-6-2-3-10-7(4-6)8(11)5-9(12)13/h2-4,8,11H,5H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyDPFPDZZVYYRYEH-MRVPVSSYSA-N
XLogP0.60
TPSA79.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(dibromomethyl)-4-pyridinyl]oxy]acetic acid
CID 175524021
3-(2,4,6-trimethoxyphenyl)butanoic acid
CID 112513775
(3S)-3-hydroxy-3-(3-hydroxy-4-methoxyphenyl)propanoic acid
CID 94425310
ethyl (3S)-3-hydroxy-3-(4-methyl-2-pyridinyl)propanoate
CID 90379419
3-(3-methoxyphenyl)-3-(1-methylimidazol-2-yl)propanoic acid
CID 82484426
2-[(7-methoxyisoquinolin-1-yl)amino]butanedioic acid
CID 103756130
ethyl 3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxy-2-pyridinyl)propanoate
CID 142676179
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
3-[(6-methoxyisoquinolin-1-yl)amino]pentanoic acid
CID 106536432
3-hydroxy-3-(2-methoxy-5-methylphenyl)propanoic acid
CID 82366721
4-(2-chloro-5-methoxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877550
4-(2-fluoro-4-methoxyphenyl)-3,4-dihydroxybutanoic acid
CID 171877553

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-(4-methoxy-2-pyridinyl)propanoic acid?
The IUPAC name of (3R)-3-hydroxy-3-(4-methoxy-2-pyridinyl)propanoic acid (CID 96858377) is (3R)-3-hydroxy-3-(4-methoxy-2-pyridinyl)propanoic acid.
What is the SMILES notation for (3R)-3-hydroxy-3-(4-methoxy-2-pyridinyl)propanoic acid?
The canonical SMILES for (3R)-3-hydroxy-3-(4-methoxy-2-pyridinyl)propanoic acid is COc1ccnc([C@H](O)CC(=O)O)c1.
What is the InChIKey of (3R)-3-hydroxy-3-(4-methoxy-2-pyridinyl)propanoic acid?
The InChIKey is DPFPDZZVYYRYEH-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11NO4/c1-14-6-2-3-10-7(4-6)8(11)5-9(12)13/h2-4,8,11H,5H2,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-(4-methoxy-2-pyridinyl)propanoic acid?
(3R)-3-hydroxy-3-(4-methoxy-2-pyridinyl)propanoic acid has a molecular weight of 197.19 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-(4-methoxy-2-pyridinyl)propanoic acid is sourced from PubChem (CID 96858377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).