(2S,3S,4S)-4-fluoro-3-methoxypyrrolidine-2-carboxylic acid;hydrobromide

C6H11BrFNO3 — CID 175204236

IUPAC(2S,3S,4S)-4-fluoro-3-methoxypyrrolidine-2-carboxylic acid;hydrobromide
SMILESBr.CO[C@H]1[C@@H](C(=O)O)NC[C@@H]1F
InChIInChI=1S/C6H10FNO3.BrH/c1-11-5-3(7)2-8-4(5)6(9)10;/h3-5,8H,2H2,1H3,(H,9,10);1H/t3-,4-,5+;/m0./s1
InChIKeyPCYZQBTZXORQBS-ASMLCRKRSA-N
MW244.06 g/mol
LogP-0.03
Rot. Bonds2

About (2S,3S,4S)-4-fluoro-3-methoxypyrrolidine-2-carboxylic acid;hydrobromide

(2S,3S,4S)-4-fluoro-3-methoxypyrrolidine-2-carboxylic acid;hydrobromide (PubChem CID 175204236) has the molecular formula C6H11BrFNO3 and a molecular weight of 244.06 g/mol. Its IUPAC name is (2S,3S,4S)-4-fluoro-3-methoxypyrrolidine-2-carboxylic acid;hydrobromide.

Molecular Properties

Compound Name(2S,3S,4S)-4-fluoro-3-methoxypyrrolidine-2-carboxylic acid;hydrobromide
PubChem CID175204236
Molecular FormulaC6H11BrFNO3
Molecular Weight244.06 g/mol
Exact Mass242.99
IUPAC Name(2S,3S,4S)-4-fluoro-3-methoxypyrrolidine-2-carboxylic acid;hydrobromide
SMILESBr.CO[C@H]1[C@@H](C(=O)O)NC[C@@H]1F
InChIInChI=1S/C6H10FNO3.BrH/c1-11-5-3(7)2-8-4(5)6(9)10;/h3-5,8H,2H2,1H3,(H,9,10);1H/t3-,4-,5+;/m0./s1
InChIKeyPCYZQBTZXORQBS-ASMLCRKRSA-N
XLogP-0.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.06
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S,4S)-4-fluoro-N-(2-fluoro-3-methylbut-2-enyl)-3-methoxypyrrolidine-2-carboxamide
CID 141383088
methyl 3,4-difluoropyrrolidine-2-carboxylate
CID 171372910
3-methylazetidine-2-carboxylic acid
CID 22326246
(3R,3aS,6S,6aS)-6-fluoro-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylic acid
CID 99943340
(2S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 91535472
3-aminoazetidine-2-carboxylic acid
CID 23504294
methyl (2R,3S,4R)-3,4-dimethoxypyrrolidine-2-carboxylate;hydrochloride
CID 155821210
(1R,2S,5R)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;hydrochloride
CID 163342230
(3R,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxylic acid
CID 13232017
(2S,3S,4R,5R)-3,5-dihydroxy-4-methylpiperidine-2-carboxylic acid
CID 163596404
(1R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole-1-carboxylic acid
CID 45082692
(2R,3R)-piperazine-2,3-dicarboxylic acid
CID 29413693

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-4-fluoro-3-methoxypyrrolidine-2-carboxylic acid;hydrobromide?
The IUPAC name of (2S,3S,4S)-4-fluoro-3-methoxypyrrolidine-2-carboxylic acid;hydrobromide (CID 175204236) is (2S,3S,4S)-4-fluoro-3-methoxypyrrolidine-2-carboxylic acid;hydrobromide.
What is the SMILES notation for (2S,3S,4S)-4-fluoro-3-methoxypyrrolidine-2-carboxylic acid;hydrobromide?
The canonical SMILES for (2S,3S,4S)-4-fluoro-3-methoxypyrrolidine-2-carboxylic acid;hydrobromide is Br.CO[C@H]1[C@@H](C(=O)O)NC[C@@H]1F.
What is the InChIKey of (2S,3S,4S)-4-fluoro-3-methoxypyrrolidine-2-carboxylic acid;hydrobromide?
The InChIKey is PCYZQBTZXORQBS-ASMLCRKRSA-N. The full InChI is InChI=1S/C6H10FNO3.BrH/c1-11-5-3(7)2-8-4(5)6(9)10;/h3-5,8H,2H2,1H3,(H,9,10);1H/t3-,4-,5+;/m0./s1.
What are the key properties of (2S,3S,4S)-4-fluoro-3-methoxypyrrolidine-2-carboxylic acid;hydrobromide?
(2S,3S,4S)-4-fluoro-3-methoxypyrrolidine-2-carboxylic acid;hydrobromide has a molecular weight of 244.06 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-4-fluoro-3-methoxypyrrolidine-2-carboxylic acid;hydrobromide is sourced from PubChem (CID 175204236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).