5-(3-hydroxyazetidine-1-carbonyl)-1H-pyrrole-2-carboxylic acid

C9H10N2O4 — CID 130859516

IUPAC5-(3-hydroxyazetidine-1-carbonyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CC(O)C2)[nH]1
InChIInChI=1S/C9H10N2O4/c12-5-3-11(4-5)8(13)6-1-2-7(10-6)9(14)15/h1-2,5,10,12H,3-4H2,(H,14,15)
InChIKeyQHOCNOFQVMCBGQ-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.47
Rot. Bonds2

About 5-(3-hydroxyazetidine-1-carbonyl)-1H-pyrrole-2-carboxylic acid

5-(3-hydroxyazetidine-1-carbonyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 130859516) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 5-(3-hydroxyazetidine-1-carbonyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-hydroxyazetidine-1-carbonyl)-1H-pyrrole-2-carboxylic acid
PubChem CID130859516
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name5-(3-hydroxyazetidine-1-carbonyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)N2CC(O)C2)[nH]1
InChIInChI=1S/C9H10N2O4/c12-5-3-11(4-5)8(13)6-1-2-7(10-6)9(14)15/h1-2,5,10,12H,3-4H2,(H,14,15)
InChIKeyQHOCNOFQVMCBGQ-UHFFFAOYSA-N
XLogP-0.47
TPSA93.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxyazetidin-1-yl)-(5-nitro-1H-pyrrol-2-yl)methanone
CID 63105654
(2-butan-2-ylcyclohexyl)-[5-(3-hydroxyazetidine-1-carbonyl)-1H-pyrrol-2-yl]methanone
CID 175488838
6-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 107262059
2-(3-hydroxyazetidine-1-carbonyl)-3,6-dimethylbenzoic acid
CID 107214325
[(3S)-3-hydroxypiperidin-1-yl]-(5-nitro-1H-pyrrol-2-yl)methanone
CID 93084226
(3,5-dihydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 84582449
5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide
CID 175890901
(3,5-diaminophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107209954
(5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111562101
(3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 55176659
[(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 79029409
(4,5-dichloro-1H-pyrrol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260480

Frequently Asked Questions

What is the IUPAC name of 5-(3-hydroxyazetidine-1-carbonyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-(3-hydroxyazetidine-1-carbonyl)-1H-pyrrole-2-carboxylic acid (CID 130859516) is 5-(3-hydroxyazetidine-1-carbonyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(3-hydroxyazetidine-1-carbonyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(3-hydroxyazetidine-1-carbonyl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1ccc(C(=O)N2CC(O)C2)[nH]1.
What is the InChIKey of 5-(3-hydroxyazetidine-1-carbonyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is QHOCNOFQVMCBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c12-5-3-11(4-5)8(13)6-1-2-7(10-6)9(14)15/h1-2,5,10,12H,3-4H2,(H,14,15).
What are the key properties of 5-(3-hydroxyazetidine-1-carbonyl)-1H-pyrrole-2-carboxylic acid?
5-(3-hydroxyazetidine-1-carbonyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of -0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-hydroxyazetidine-1-carbonyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 130859516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).