(3R,5S)-1,5-dimethylpyrrolidine-3-carboxylic acid

C7H13NO2 — CID 96636817

IUPAC(3R,5S)-1,5-dimethylpyrrolidine-3-carboxylic acid
SMILESC[C@H]1C[C@@H](C(=O)O)CN1C
InChIInChI=1S/C7H13NO2/c1-5-3-6(7(9)10)4-8(5)2/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6+/m0/s1
InChIKeyWRRKYLYFPBCVRR-NTSWFWBYSA-N
MW143.19 g/mol
LogP0.41
Rot. Bonds1

About (3R,5S)-1,5-dimethylpyrrolidine-3-carboxylic acid

(3R,5S)-1,5-dimethylpyrrolidine-3-carboxylic acid (PubChem CID 96636817) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (3R,5S)-1,5-dimethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,5S)-1,5-dimethylpyrrolidine-3-carboxylic acid
PubChem CID96636817
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(3R,5S)-1,5-dimethylpyrrolidine-3-carboxylic acid
SMILESC[C@H]1C[C@@H](C(=O)O)CN1C
InChIInChI=1S/C7H13NO2/c1-5-3-6(7(9)10)4-8(5)2/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6+/m0/s1
InChIKeyWRRKYLYFPBCVRR-NTSWFWBYSA-N
XLogP0.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1,5-dimethylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,5S)-1,5-dimethylpyrrolidine-3-carboxylic acid (CID 96636817) is (3R,5S)-1,5-dimethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,5S)-1,5-dimethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,5S)-1,5-dimethylpyrrolidine-3-carboxylic acid is C[C@H]1C[C@@H](C(=O)O)CN1C.
What is the InChIKey of (3R,5S)-1,5-dimethylpyrrolidine-3-carboxylic acid?
The InChIKey is WRRKYLYFPBCVRR-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5-3-6(7(9)10)4-8(5)2/h5-6H,3-4H2,1-2H3,(H,9,10)/t5-,6+/m0/s1.
What are the key properties of (3R,5S)-1,5-dimethylpyrrolidine-3-carboxylic acid?
(3R,5S)-1,5-dimethylpyrrolidine-3-carboxylic acid has a molecular weight of 143.19 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1,5-dimethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 96636817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).