(2S)-2-carboxy-3,4-dihydro-2H-pyrrol-5-olate

C5H6NO3- — CID 102268616

IUPAC(2S)-2-carboxy-3,4-dihydro-2H-pyrrol-5-olate
SMILESO=C(O)[C@@H]1CCC([O-])=N1
InChIInChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/p-1/t3-/m0/s1
InChIKeyODHCTXKNWHHXJC-VKHMYHEASA-M
MW128.11 g/mol
LogP-1.01
Rot. Bonds1

About (2S)-2-carboxy-3,4-dihydro-2H-pyrrol-5-olate

(2S)-2-carboxy-3,4-dihydro-2H-pyrrol-5-olate (PubChem CID 102268616) has the molecular formula C5H6NO3- and a molecular weight of 128.11 g/mol. Its IUPAC name is (2S)-2-carboxy-3,4-dihydro-2H-pyrrol-5-olate.

Molecular Properties

Compound Name(2S)-2-carboxy-3,4-dihydro-2H-pyrrol-5-olate
PubChem CID102268616
Molecular FormulaC5H6NO3-
Molecular Weight128.11 g/mol
Exact Mass128.04
IUPAC Name(2S)-2-carboxy-3,4-dihydro-2H-pyrrol-5-olate
SMILESO=C(O)[C@@H]1CCC([O-])=N1
InChIInChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/p-1/t3-/m0/s1
InChIKeyODHCTXKNWHHXJC-VKHMYHEASA-M
XLogP-1.01
TPSA72.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.11
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-carboxy-3,4-dihydro-2H-pyrrol-5-olate?
The IUPAC name of (2S)-2-carboxy-3,4-dihydro-2H-pyrrol-5-olate (CID 102268616) is (2S)-2-carboxy-3,4-dihydro-2H-pyrrol-5-olate.
What is the SMILES notation for (2S)-2-carboxy-3,4-dihydro-2H-pyrrol-5-olate?
The canonical SMILES for (2S)-2-carboxy-3,4-dihydro-2H-pyrrol-5-olate is O=C(O)[C@@H]1CCC([O-])=N1.
What is the InChIKey of (2S)-2-carboxy-3,4-dihydro-2H-pyrrol-5-olate?
The InChIKey is ODHCTXKNWHHXJC-VKHMYHEASA-M. The full InChI is InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/p-1/t3-/m0/s1.
What are the key properties of (2S)-2-carboxy-3,4-dihydro-2H-pyrrol-5-olate?
(2S)-2-carboxy-3,4-dihydro-2H-pyrrol-5-olate has a molecular weight of 128.11 g/mol, XLogP of -1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-carboxy-3,4-dihydro-2H-pyrrol-5-olate is sourced from PubChem (CID 102268616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).