(2R,3S)-2-cyclopentyl-1-propan-2-ylpyrrolidine-3-carboxylic acid

C13H23NO2 — CID 96603802

IUPAC(2R,3S)-2-cyclopentyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)N1CC[C@H](C(=O)O)[C@H]1C1CCCC1
InChIInChI=1S/C13H23NO2/c1-9(2)14-8-7-11(13(15)16)12(14)10-5-3-4-6-10/h9-12H,3-8H2,1-2H3,(H,15,16)/t11-,12+/m0/s1
InChIKeyTTXPXAZCRUJVKD-NWDGAFQWSA-N
MW225.33 g/mol
LogP2.36
Rot. Bonds3

About (2R,3S)-2-cyclopentyl-1-propan-2-ylpyrrolidine-3-carboxylic acid

(2R,3S)-2-cyclopentyl-1-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 96603802) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (2R,3S)-2-cyclopentyl-1-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-2-cyclopentyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID96603802
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(2R,3S)-2-cyclopentyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)N1CC[C@H](C(=O)O)[C@H]1C1CCCC1
InChIInChI=1S/C13H23NO2/c1-9(2)14-8-7-11(13(15)16)12(14)10-5-3-4-6-10/h9-12H,3-8H2,1-2H3,(H,15,16)/t11-,12+/m0/s1
InChIKeyTTXPXAZCRUJVKD-NWDGAFQWSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-cyclopentyl-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of (2R,3S)-2-cyclopentyl-1-propan-2-ylpyrrolidine-3-carboxylic acid (CID 96603802) is (2R,3S)-2-cyclopentyl-1-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2R,3S)-2-cyclopentyl-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (2R,3S)-2-cyclopentyl-1-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)N1CC[C@H](C(=O)O)[C@H]1C1CCCC1.
What is the InChIKey of (2R,3S)-2-cyclopentyl-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is TTXPXAZCRUJVKD-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9(2)14-8-7-11(13(15)16)12(14)10-5-3-4-6-10/h9-12H,3-8H2,1-2H3,(H,15,16)/t11-,12+/m0/s1.
What are the key properties of (2R,3S)-2-cyclopentyl-1-propan-2-ylpyrrolidine-3-carboxylic acid?
(2R,3S)-2-cyclopentyl-1-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-cyclopentyl-1-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 96603802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).