(2R,8S)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid

C8H10FNO3 — CID 170898615

IUPAC(2R,8S)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
SMILESO=C1CC[C@@]2(C(=O)O)C[C@@H](F)CN12
InChIInChI=1S/C8H10FNO3/c9-5-3-8(7(12)13)2-1-6(11)10(8)4-5/h5H,1-4H2,(H,12,13)/t5-,8+/m1/s1
InChIKeyDCZSTFAAJMZQTQ-XRGYYRRGSA-N
MW187.17 g/mol
LogP0.17
Rot. Bonds1

About (2R,8S)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid

(2R,8S)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid (PubChem CID 170898615) has the molecular formula C8H10FNO3 and a molecular weight of 187.17 g/mol. Its IUPAC name is (2R,8S)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid.

Molecular Properties

Compound Name(2R,8S)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
PubChem CID170898615
Molecular FormulaC8H10FNO3
Molecular Weight187.17 g/mol
Exact Mass187.06
IUPAC Name(2R,8S)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
SMILESO=C1CC[C@@]2(C(=O)O)C[C@@H](F)CN12
InChIInChI=1S/C8H10FNO3/c9-5-3-8(7(12)13)2-1-6(11)10(8)4-5/h5H,1-4H2,(H,12,13)/t5-,8+/m1/s1
InChIKeyDCZSTFAAJMZQTQ-XRGYYRRGSA-N
XLogP0.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.17
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,8S)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid?
The IUPAC name of (2R,8S)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid (CID 170898615) is (2R,8S)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid.
What is the SMILES notation for (2R,8S)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid?
The canonical SMILES for (2R,8S)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid is O=C1CC[C@@]2(C(=O)O)C[C@@H](F)CN12.
What is the InChIKey of (2R,8S)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid?
The InChIKey is DCZSTFAAJMZQTQ-XRGYYRRGSA-N. The full InChI is InChI=1S/C8H10FNO3/c9-5-3-8(7(12)13)2-1-6(11)10(8)4-5/h5H,1-4H2,(H,12,13)/t5-,8+/m1/s1.
What are the key properties of (2R,8S)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid?
(2R,8S)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid has a molecular weight of 187.17 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8S)-2-fluoro-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid is sourced from PubChem (CID 170898615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).