(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride

C8H16ClNO2 — CID 67785488

IUPAC(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCCCN1CCC[C@H]1C(=O)O.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-2-5-9-6-3-4-7(9)8(10)11;/h7H,2-6H2,1H3,(H,10,11);1H/t7-;/m0./s1
InChIKeyKKTOANBBOLANHE-FJXQXJEOSA-N
MW193.67 g/mol
LogP1.37
Rot. Bonds3

About (2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride

(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 67785488) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is (2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID67785488
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCCCN1CCC[C@H]1C(=O)O.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-2-5-9-6-3-4-7(9)8(10)11;/h7H,2-6H2,1H3,(H,10,11);1H/t7-;/m0./s1
InChIKeyKKTOANBBOLANHE-FJXQXJEOSA-N
XLogP1.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-nonylpyrrolidine-2-carboxylic acid
CID 43441741
1-pentylpyrrolidine-2-carboxylic acid;sulfane
CID 174808239
CID 172742310
CID 172742310
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
(2R)-1-butylpiperidine-2-carboxylic acid
CID 40787093
CID 66737893
CID 66737893
(2S)-1-(2-sulfanylethyl)pyrrolidine-2-carboxylic acid
CID 45116092
1-(2-aminoethyl)pyrrolidine-2-carboxylic acid
CID 63653380
(2R)-N-methyl-1-propylpyrrolidine-2-carboxamide
CID 142459881
(2S)-1-(3-methylbutyl)pyrrolidine-2-carboxylic acid
CID 28819351
1-(2-oxobutyl)pyrrolidine-2-carboxylic acid
CID 82406232

Frequently Asked Questions

What is the IUPAC name of (2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride (CID 67785488) is (2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride is CCCN1CCC[C@H]1C(=O)O.Cl.
What is the InChIKey of (2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is KKTOANBBOLANHE-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-2-5-9-6-3-4-7(9)8(10)11;/h7H,2-6H2,1H3,(H,10,11);1H/t7-;/m0./s1.
What are the key properties of (2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride?
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 67785488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).