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

C9H18ClNO2 — CID 22802137

IUPAC(2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCCC[C@@H]1C[C@@H](C(=O)O)N(C)C1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-3-4-7-5-8(9(11)12)10(2)6-7;/h7-8H,3-6H2,1-2H3,(H,11,12);1H/t7-,8+;/m1./s1
InChIKeyHXLBKTSQKYGOOA-WLYNEOFISA-N
MW207.70 g/mol
LogP1.61
Rot. Bonds3

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

(2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 22802137) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID22802137
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name(2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCCC[C@@H]1C[C@@H](C(=O)O)N(C)C1.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-3-4-7-5-8(9(11)12)10(2)6-7;/h7-8H,3-6H2,1-2H3,(H,11,12);1H/t7-,8+;/m1./s1
InChIKeyHXLBKTSQKYGOOA-WLYNEOFISA-N
XLogP1.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.61
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;hydrochloride?
The IUPAC name of (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid;hydrochloride (CID 22802137) is (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid;hydrochloride is CCC[C@@H]1C[C@@H](C(=O)O)N(C)C1.Cl.
What is the InChIKey of (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is HXLBKTSQKYGOOA-WLYNEOFISA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-3-4-7-5-8(9(11)12)10(2)6-7;/h7-8H,3-6H2,1-2H3,(H,11,12);1H/t7-,8+;/m1./s1.
What are the key properties of (2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid;hydrochloride?
(2S,4R)-1-methyl-4-propylpyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.61, 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;hydrochloride is sourced from PubChem (CID 22802137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).