(2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid

C9H17NO2 — CID 22798271

IUPAC(2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid
SMILESCCC[C@@H]1C[C@@H](C(=O)O)N(C)C1
InChIInChI=1S/C9H17NO2/c1-3-4-7-5-8(9(11)12)10(2)6-7/h7-8H,3-6H2,1-2H3,(H,11,12)/t7-,8+/m1/s1
InChIKeyMAWGMRQFCUEYCT-SFYZADRCSA-N
MW171.24 g/mol
LogP1.19
Rot. Bonds3

About (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid

(2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid (PubChem CID 22798271) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid
PubChem CID22798271
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid
SMILESCCC[C@@H]1C[C@@H](C(=O)O)N(C)C1
InChIInChI=1S/C9H17NO2/c1-3-4-7-5-8(9(11)12)10(2)6-7/h7-8H,3-6H2,1-2H3,(H,11,12)/t7-,8+/m1/s1
InChIKeyMAWGMRQFCUEYCT-SFYZADRCSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid (CID 22798271) is (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid is CCC[C@@H]1C[C@@H](C(=O)O)N(C)C1.
What is the InChIKey of (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid?
The InChIKey is MAWGMRQFCUEYCT-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-4-7-5-8(9(11)12)10(2)6-7/h7-8H,3-6H2,1-2H3,(H,11,12)/t7-,8+/m1/s1.
What are the key properties of (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid?
(2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid has a molecular weight of 171.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 22798271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).