(2S)-5-oxo-1,2-dihydropyrrole-2-carboxylic acid

C5H5NO3 — CID 15202858

IUPAC(2S)-5-oxo-1,2-dihydropyrrole-2-carboxylic acid
SMILESO=C1C=C[C@@H](C(=O)O)N1
InChIInChI=1S/C5H5NO3/c7-4-2-1-3(6-4)5(8)9/h1-3H,(H,6,7)(H,8,9)/t3-/m0/s1
InChIKeyBAQXAKWDKIIPEC-VKHMYHEASA-N
MW127.10 g/mol
LogP-0.87
Rot. Bonds1

About (2S)-5-oxo-1,2-dihydropyrrole-2-carboxylic acid

(2S)-5-oxo-1,2-dihydropyrrole-2-carboxylic acid (PubChem CID 15202858) has the molecular formula C5H5NO3 and a molecular weight of 127.10 g/mol. Its IUPAC name is (2S)-5-oxo-1,2-dihydropyrrole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-5-oxo-1,2-dihydropyrrole-2-carboxylic acid
PubChem CID15202858
Molecular FormulaC5H5NO3
Molecular Weight127.10 g/mol
Exact Mass127.03
IUPAC Name(2S)-5-oxo-1,2-dihydropyrrole-2-carboxylic acid
SMILESO=C1C=C[C@@H](C(=O)O)N1
InChIInChI=1S/C5H5NO3/c7-4-2-1-3(6-4)5(8)9/h1-3H,(H,6,7)(H,8,9)/t3-/m0/s1
InChIKeyBAQXAKWDKIIPEC-VKHMYHEASA-N
XLogP-0.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxo-1,2-dihydropyrrole-2-carboxylic acid?
The IUPAC name of (2S)-5-oxo-1,2-dihydropyrrole-2-carboxylic acid (CID 15202858) is (2S)-5-oxo-1,2-dihydropyrrole-2-carboxylic acid.
What is the SMILES notation for (2S)-5-oxo-1,2-dihydropyrrole-2-carboxylic acid?
The canonical SMILES for (2S)-5-oxo-1,2-dihydropyrrole-2-carboxylic acid is O=C1C=C[C@@H](C(=O)O)N1.
What is the InChIKey of (2S)-5-oxo-1,2-dihydropyrrole-2-carboxylic acid?
The InChIKey is BAQXAKWDKIIPEC-VKHMYHEASA-N. The full InChI is InChI=1S/C5H5NO3/c7-4-2-1-3(6-4)5(8)9/h1-3H,(H,6,7)(H,8,9)/t3-/m0/s1.
What are the key properties of (2S)-5-oxo-1,2-dihydropyrrole-2-carboxylic acid?
(2S)-5-oxo-1,2-dihydropyrrole-2-carboxylic acid has a molecular weight of 127.10 g/mol, XLogP of -0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxo-1,2-dihydropyrrole-2-carboxylic acid is sourced from PubChem (CID 15202858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).