(2S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

C7H11NO3 — CID 68624873

IUPAC(2S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CC=CC[C@H]1CO
InChIInChI=1S/C7H11NO3/c9-5-6-3-1-2-4-8(6)7(10)11/h1-2,6,9H,3-5H2,(H,10,11)/t6-/m0/s1
InChIKeyIBHRTGLEKSHBLA-LURJTMIESA-N
MW157.17 g/mol
LogP0.29
Rot. Bonds1

About (2S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

(2S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 68624873) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (2S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID68624873
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(2S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESO=C(O)N1CC=CC[C@H]1CO
InChIInChI=1S/C7H11NO3/c9-5-6-3-1-2-4-8(6)7(10)11/h1-2,6,9H,3-5H2,(H,10,11)/t6-/m0/s1
InChIKeyIBHRTGLEKSHBLA-LURJTMIESA-N
XLogP0.29
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of (2S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 68624873) is (2S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for (2S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is O=C(O)N1CC=CC[C@H]1CO.
What is the InChIKey of (2S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is IBHRTGLEKSHBLA-LURJTMIESA-N. The full InChI is InChI=1S/C7H11NO3/c9-5-6-3-1-2-4-8(6)7(10)11/h1-2,6,9H,3-5H2,(H,10,11)/t6-/m0/s1.
What are the key properties of (2S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
(2S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 68624873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).