(3R)-1-propan-2-ylpyrrolidine-3-carboxylic acid

C8H15NO2 — CID 26722583

IUPAC(3R)-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)N1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C8H15NO2/c1-6(2)9-4-3-7(5-9)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)/t7-/m1/s1
InChIKeyOIBRWNMZOQFCTH-SSDOTTSWSA-N
MW157.21 g/mol
LogP0.80
Rot. Bonds2

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

(3R)-1-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 26722583) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (3R)-1-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID26722583
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(3R)-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)N1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C8H15NO2/c1-6(2)9-4-3-7(5-9)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)/t7-/m1/s1
InChIKeyOIBRWNMZOQFCTH-SSDOTTSWSA-N
XLogP0.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-propan-2-ylpyrrolidine-3-carboxylic acid (CID 26722583) is (3R)-1-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)N1CC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is OIBRWNMZOQFCTH-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)9-4-3-7(5-9)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)/t7-/m1/s1.
What are the key properties of (3R)-1-propan-2-ylpyrrolidine-3-carboxylic acid?
(3R)-1-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 26722583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).