4-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid

C10H13N3O3 — CID 71649700

IUPAC4-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid
SMILESO=C(O)C1CN(c2ncccc2O)CCN1
InChIInChI=1S/C10H13N3O3/c14-8-2-1-3-12-9(8)13-5-4-11-7(6-13)10(15)16/h1-3,7,11,14H,4-6H2,(H,15,16)
InChIKeySBRHHUOGVPNKIH-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.35
Rot. Bonds2

About 4-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid

4-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid (PubChem CID 71649700) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid
PubChem CID71649700
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name4-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid
SMILESO=C(O)C1CN(c2ncccc2O)CCN1
InChIInChI=1S/C10H13N3O3/c14-8-2-1-3-12-9(8)13-5-4-11-7(6-13)10(15)16/h1-3,7,11,14H,4-6H2,(H,15,16)
InChIKeySBRHHUOGVPNKIH-UHFFFAOYSA-N
XLogP-0.35
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 97169312
(2R)-4-(3-methylpyrazin-2-yl)piperazine-2-carboxylic acid
CID 97176850
4-pyridin-2-ylpiperazine-2-carboxylic acid
CID 44607823
1-(3-hydroxy-2-pyridinyl)azetidine-3-carboxylic acid
CID 71649635
4-pyrrolo[1,2-b]pyridazin-7-ylpiperazine-2-carboxylic acid
CID 82384540
2-[(3S)-3-hydroxypyrrolidin-1-yl]pyridin-3-ol
CID 71649435
4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperazine-2-carboxylic acid
CID 170161346
(2R)-4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)piperazine-2-carboxylic acid
CID 95554820
1-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid;hydrochloride
CID 71646293
4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid
CID 56880424
(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid
CID 97169297
1-(3-fluoro-2-pyridinyl)-3-methylpiperazine
CID 62734907

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid?
The IUPAC name of 4-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid (CID 71649700) is 4-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid.
What is the SMILES notation for 4-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid?
The canonical SMILES for 4-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid is O=C(O)C1CN(c2ncccc2O)CCN1.
What is the InChIKey of 4-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid?
The InChIKey is SBRHHUOGVPNKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-8-2-1-3-12-9(8)13-5-4-11-7(6-13)10(15)16/h1-3,7,11,14H,4-6H2,(H,15,16).
What are the key properties of 4-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid?
4-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of -0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-2-pyridinyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 71649700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).