(2S,4E)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid

C6H8FNO2 — CID 15735990

IUPAC(2S,4E)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C/C(=C\F)CN1
InChIInChI=1S/C6H8FNO2/c7-2-4-1-5(6(9)10)8-3-4/h2,5,8H,1,3H2,(H,9,10)/b4-2+/t5-/m0/s1
InChIKeyWQELYDVKHZIJHJ-FYTLMZHYSA-N
MW145.13 g/mol
LogP0.29
Rot. Bonds1

About (2S,4E)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid

(2S,4E)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid (PubChem CID 15735990) has the molecular formula C6H8FNO2 and a molecular weight of 145.13 g/mol. Its IUPAC name is (2S,4E)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4E)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid
PubChem CID15735990
Molecular FormulaC6H8FNO2
Molecular Weight145.13 g/mol
Exact Mass145.05
IUPAC Name(2S,4E)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C/C(=C\F)CN1
InChIInChI=1S/C6H8FNO2/c7-2-4-1-5(6(9)10)8-3-4/h2,5,8H,1,3H2,(H,9,10)/b4-2+/t5-/m0/s1
InChIKeyWQELYDVKHZIJHJ-FYTLMZHYSA-N
XLogP0.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.13
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-(fluoromethylidene)-5-oxopyrrolidine-2-carboxylic acid
CID 130632227
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(3R)-6-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 86316644
(3R)-7-amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 18392778
benzene;6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 142501010
3-oxo-1,2,4,5,6,7-hexahydropyrazolo[3,4-c]pyridine-5-carboxylic acid
CID 55296929
(3R)-1,2,3,4-tetrahydroisoquinoline-3,7-dicarboxylic acid;hydrochloride
CID 118657995
(3S)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 2733173
6-sulfanylidene-1,3-diazinane-4-carboxylic acid
CID 74652485
3-methyl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine-6-carboxylic acid
CID 83668336
4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
CID 16807503
2-chloro-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 84733867

Frequently Asked Questions

What is the IUPAC name of (2S,4E)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4E)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid (CID 15735990) is (2S,4E)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4E)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4E)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C/C(=C\F)CN1.
What is the InChIKey of (2S,4E)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid?
The InChIKey is WQELYDVKHZIJHJ-FYTLMZHYSA-N. The full InChI is InChI=1S/C6H8FNO2/c7-2-4-1-5(6(9)10)8-3-4/h2,5,8H,1,3H2,(H,9,10)/b4-2+/t5-/m0/s1.
What are the key properties of (2S,4E)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid?
(2S,4E)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid has a molecular weight of 145.13 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4E)-4-(fluoromethylidene)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 15735990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).