(3R,4R)-4-(2-phenylethyl)pyrrolidine-3-carboxylic acid

C13H17NO2 — CID 57367804

IUPAC(3R,4R)-4-(2-phenylethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CNC[C@@H]1CCc1ccccc1
InChIInChI=1S/C13H17NO2/c15-13(16)12-9-14-8-11(12)7-6-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)/t11-,12-/m0/s1
InChIKeyPCYHIDJQZSYCBR-RYUDHWBXSA-N
MW219.28 g/mol
LogP1.54
Rot. Bonds4

About (3R,4R)-4-(2-phenylethyl)pyrrolidine-3-carboxylic acid

(3R,4R)-4-(2-phenylethyl)pyrrolidine-3-carboxylic acid (PubChem CID 57367804) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (3R,4R)-4-(2-phenylethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-(2-phenylethyl)pyrrolidine-3-carboxylic acid
PubChem CID57367804
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(3R,4R)-4-(2-phenylethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CNC[C@@H]1CCc1ccccc1
InChIInChI=1S/C13H17NO2/c15-13(16)12-9-14-8-11(12)7-6-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)/t11-,12-/m0/s1
InChIKeyPCYHIDJQZSYCBR-RYUDHWBXSA-N
XLogP1.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid
CID 67182121
(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961382
4-[(4-methylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 84684805
trans-(1R,2S)-2-[2-(4-iodophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 130404266
2-(2-methylcyclopropyl)ethylbenzene
CID 15532829
(3R,4S)-4-ethylpyrrolidine-3-carboxylic acid
CID 58977392
2-(2-phenylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylic acid
CID 53426464
4-benzoylpyrrolidine-3-carboxylic acid
CID 3573006
(3R,4R)-3-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961335
(3R,4R)-4-benzyl-N,N-diphenylpyrrolidine-3-carboxamide
CID 70849292
2-[2-(4-aminophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 112718089
4-(3-boronopropyl)pyrrolidine-3-carboxylic acid
CID 77453645

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(2-phenylethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-(2-phenylethyl)pyrrolidine-3-carboxylic acid (CID 57367804) is (3R,4R)-4-(2-phenylethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-(2-phenylethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-(2-phenylethyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CNC[C@@H]1CCc1ccccc1.
What is the InChIKey of (3R,4R)-4-(2-phenylethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is PCYHIDJQZSYCBR-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(16)12-9-14-8-11(12)7-6-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)/t11-,12-/m0/s1.
What are the key properties of (3R,4R)-4-(2-phenylethyl)pyrrolidine-3-carboxylic acid?
(3R,4R)-4-(2-phenylethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(2-phenylethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 57367804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).