(3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid

C13H16FNO2 — CID 124677617

IUPAC(3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
SMILESC[C@@H](c1cccc(F)c1)N1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H16FNO2/c1-9(10-3-2-4-12(14)7-10)15-6-5-11(8-15)13(16)17/h2-4,7,9,11H,5-6,8H2,1H3,(H,16,17)/t9-,11+/m0/s1
InChIKeyRFSIJWITGRWYTL-GXSJLCMTSA-N
MW237.27 g/mol
LogP2.29
Rot. Bonds3

About (3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid

(3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 124677617) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is (3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID124677617
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name(3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
SMILESC[C@@H](c1cccc(F)c1)N1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H16FNO2/c1-9(10-3-2-4-12(14)7-10)15-6-5-11(8-15)13(16)17/h2-4,7,9,11H,5-6,8H2,1H3,(H,16,17)/t9-,11+/m0/s1
InChIKeyRFSIJWITGRWYTL-GXSJLCMTSA-N
XLogP2.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066608
1-[bis(3-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 3912751
(3S)-1-[(1R)-1-(2,5-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124512163
1-[1-(3-fluorophenyl)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 114834766
1-[1-(2,4-difluorophenyl)ethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904479
1-[1-(3-fluoroanilino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904283
1-[1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066425
(3S)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 125147860
1-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 65066522
(3R)-1-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677629
(3S)-1-[(2R)-2-(3-fluorophenyl)propanoyl]piperidine-3-carboxylic acid
CID 124576767
cyclopropyl-[1-(1-phenylethyl)pyrrolidin-3-yl]methanone
CID 22633923

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid (CID 124677617) is (3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid is C[C@@H](c1cccc(F)c1)N1CC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is RFSIJWITGRWYTL-GXSJLCMTSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9(10-3-2-4-12(14)7-10)15-6-5-11(8-15)13(16)17/h2-4,7,9,11H,5-6,8H2,1H3,(H,16,17)/t9-,11+/m0/s1.
What are the key properties of (3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid?
(3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 237.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 124677617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).