(2S,4R)-4-hydroxy-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid

C13H13N3O4 — CID 63858178

IUPAC(2S,4R)-4-hydroxy-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1C(=O)c1cn2ccccc2n1
InChIInChI=1S/C13H13N3O4/c17-8-5-10(13(19)20)16(6-8)12(18)9-7-15-4-2-1-3-11(15)14-9/h1-4,7-8,10,17H,5-6H2,(H,19,20)/t8-,10+/m1/s1
InChIKeyAZWIRFNWSOMIAE-SCZZXKLOSA-N
MW275.26 g/mol
LogP-0.01
Rot. Bonds2

About (2S,4R)-4-hydroxy-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid

(2S,4R)-4-hydroxy-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 63858178) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID63858178
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name(2S,4R)-4-hydroxy-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1C(=O)c1cn2ccccc2n1
InChIInChI=1S/C13H13N3O4/c17-8-5-10(13(19)20)16(6-8)12(18)9-7-15-4-2-1-3-11(15)14-9/h1-4,7-8,10,17H,5-6H2,(H,19,20)/t8-,10+/m1/s1
InChIKeyAZWIRFNWSOMIAE-SCZZXKLOSA-N
XLogP-0.01
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(imidazo[1,2-a]pyridine-2-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114421885
[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
CID 129350051
(4-hydroxy-1,2-oxazolidin-2-yl)-imidazo[1,2-a]pyridin-2-ylmethanone
CID 112736664
(2S,4S)-1-(6-chloropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714061
2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)azetidin-3-yl]acetic acid
CID 64603533
1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 43355877
(2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114269502
imidazo[1,2-a]pyridin-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 46981584
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
CID 66261240
N-[(3-hydroxycyclobutyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 66005188
(2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61151791
(2R,4R)-1-(5-fluoropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104638295

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 63858178) is (2S,4R)-4-hydroxy-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)c1cn2ccccc2n1.
What is the InChIKey of (2S,4R)-4-hydroxy-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is AZWIRFNWSOMIAE-SCZZXKLOSA-N. The full InChI is InChI=1S/C13H13N3O4/c17-8-5-10(13(19)20)16(6-8)12(18)9-7-15-4-2-1-3-11(15)14-9/h1-4,7-8,10,17H,5-6H2,(H,19,20)/t8-,10+/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-hydroxy-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63858178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).