4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid

C12H16N2O3 — CID 112625915

IUPAC4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCC(O)C1CCN(c2ccnc(C(=O)O)c2)C1
InChIInChI=1S/C12H16N2O3/c1-8(15)9-3-5-14(7-9)10-2-4-13-11(6-10)12(16)17/h2,4,6,8-9,15H,3,5,7H2,1H3,(H,16,17)
InChIKeyMKABYOYGKLROSI-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.99
Rot. Bonds3

About 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid

4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 112625915) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
PubChem CID112625915
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESCC(O)C1CCN(c2ccnc(C(=O)O)c2)C1
InChIInChI=1S/C12H16N2O3/c1-8(15)9-3-5-14(7-9)10-2-4-13-11(6-10)12(16)17/h2,4,6,8-9,15H,3,5,7H2,1H3,(H,16,17)
InChIKeyMKABYOYGKLROSI-UHFFFAOYSA-N
XLogP0.99
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 104638980
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-2-carboxylic acid
CID 43620518
N'-hydroxy-4-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide
CID 136762079
4-(3-phenylpyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 62131776
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-2-carboxylic acid
CID 66371853
1-[4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]ethanone
CID 112625956
4-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 56910861
N,N-diethyl-4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carboxamide
CID 94895221
N-ethyl-4-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63853012
1-(2-carbamoyl-4-pyridinyl)piperidine-4-carboxylic acid
CID 43517519
1-[1-(4-amino-3-methylphenyl)pyrrolidin-3-yl]ethanol
CID 112624191
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-methylbenzaldehyde
CID 112626083

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (CID 112625915) is 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is CC(O)C1CCN(c2ccnc(C(=O)O)c2)C1.
What is the InChIKey of 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is MKABYOYGKLROSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(15)9-3-5-14(7-9)10-2-4-13-11(6-10)12(16)17/h2,4,6,8-9,15H,3,5,7H2,1H3,(H,16,17).
What are the key properties of 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 112625915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).