4-hydroxy-1-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid

C12H15N3O4 — CID 61200630

IUPAC4-hydroxy-1-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)NCc1ccncc1
InChIInChI=1S/C12H15N3O4/c16-9-5-10(11(17)18)15(7-9)12(19)14-6-8-1-3-13-4-2-8/h1-4,9-10,16H,5-7H2,(H,14,19)(H,17,18)
InChIKeyHPXGQEYZVILKNI-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.19
Rot. Bonds3

About 4-hydroxy-1-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 61200630) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-hydroxy-1-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID61200630
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name4-hydroxy-1-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)NCc1ccncc1
InChIInChI=1S/C12H15N3O4/c16-9-5-10(11(17)18)15(7-9)12(19)14-6-8-1-3-13-4-2-8/h1-4,9-10,16H,5-7H2,(H,14,19)(H,17,18)
InChIKeyHPXGQEYZVILKNI-UHFFFAOYSA-N
XLogP-0.19
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4R)-1-[(3,4-difluorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000456
4-hydroxy-1-(1,2-oxazol-5-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 106421054
(2S,4S)-1-[(2-ethylphenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712406
(2S,4R)-1-[(2-ethylphenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64693701
(2S)-4-hydroxy-1-[(2-methylphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61203885
(2S,4R)-1-[(2-chlorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841658
(2S)-1-[(2-fluorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61189505
(2R,4R)-4-hydroxy-1-[(6-methyl-2-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78999350
(2S,4R)-4-hydroxy-1-[(5-methylthiophen-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63842711
(2R,4R)-4-hydroxy-1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 79000392
4-hydroxy-1-[(5-methylpyrazin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 62846490
(2S,4R)-1-[(5-ethylthiophen-2-yl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106005542

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 61200630) is 4-hydroxy-1-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)NCc1ccncc1.
What is the InChIKey of 4-hydroxy-1-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HPXGQEYZVILKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-9-5-10(11(17)18)15(7-9)12(19)14-6-8-1-3-13-4-2-8/h1-4,9-10,16H,5-7H2,(H,14,19)(H,17,18).
What are the key properties of 4-hydroxy-1-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61200630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).