4-[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]butanoic acid

C15H20FNO2 — CID 124608405

IUPAC4-[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]butanoic acid
SMILESC[C@@H]1CCN(CCCC(=O)O)[C@@H]1c1cccc(F)c1
InChIInChI=1S/C15H20FNO2/c1-11-7-9-17(8-3-6-14(18)19)15(11)12-4-2-5-13(16)10-12/h2,4-5,10-11,15H,3,6-9H2,1H3,(H,18,19)/t11-,15+/m1/s1
InChIKeyIKPZDDYDUNXVBD-ABAIWWIYSA-N
MW265.33 g/mol
LogP3.07
Rot. Bonds5

About 4-[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]butanoic acid

4-[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]butanoic acid (PubChem CID 124608405) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]butanoic acid
PubChem CID124608405
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name4-[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]butanoic acid
SMILESC[C@@H]1CCN(CCCC(=O)O)[C@@H]1c1cccc(F)c1
InChIInChI=1S/C15H20FNO2/c1-11-7-9-17(8-3-6-14(18)19)15(11)12-4-2-5-13(16)10-12/h2,4-5,10-11,15H,3,6-9H2,1H3,(H,18,19)/t11-,15+/m1/s1
InChIKeyIKPZDDYDUNXVBD-ABAIWWIYSA-N
XLogP3.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S,3S)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]propanoic acid
CID 124694167
5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pentanoic acid
CID 129398261
4-[(2S)-2-(3-fluorophenyl)morpholin-4-yl]butanoic acid
CID 124606773
7-amino-1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]heptan-1-one;hydrochloride
CID 119807985
3,3-difluoro-1-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]butan-1-one
CID 124740019
tert-butyl (3S)-2-(3-fluorophenyl)-3-methylpyrrolidine-1-carboxylate
CID 66684612
3-[(2S,3S)-3,4-dimethyl-1-(4-methylpent-4-enyl)piperidin-2-yl]phenol;hydrochloride
CID 67947739
2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]ethanone;hydrochloride
CID 119808005
3-[[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]methyl]-6-methoxypyridazine
CID 125141976
2-[ethyl-[3-[[2-(3-fluorophenyl)-3-methylpyrrolidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026347
1-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 124886786
1-[2-[(2R,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 97023664

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]butanoic acid?
The IUPAC name of 4-[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]butanoic acid (CID 124608405) is 4-[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]butanoic acid?
The canonical SMILES for 4-[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]butanoic acid is C[C@@H]1CCN(CCCC(=O)O)[C@@H]1c1cccc(F)c1.
What is the InChIKey of 4-[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]butanoic acid?
The InChIKey is IKPZDDYDUNXVBD-ABAIWWIYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11-7-9-17(8-3-6-14(18)19)15(11)12-4-2-5-13(16)10-12/h2,4-5,10-11,15H,3,6-9H2,1H3,(H,18,19)/t11-,15+/m1/s1.
What are the key properties of 4-[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]butanoic acid?
4-[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]butanoic acid has a molecular weight of 265.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3R)-2-(3-fluorophenyl)-3-methylpyrrolidin-1-yl]butanoic acid is sourced from PubChem (CID 124608405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).