3-(2-ethylpyrrolidin-3-yl)propanoic acid;hydrochloride

C9H18ClNO2 — CID 174214436

IUPAC3-(2-ethylpyrrolidin-3-yl)propanoic acid;hydrochloride
SMILESCCC1NCCC1CCC(=O)O.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-2-8-7(5-6-10-8)3-4-9(11)12;/h7-8,10H,2-6H2,1H3,(H,11,12);1H
InChIKeyBHXHADKWQUXEBB-UHFFFAOYSA-N
MW207.70 g/mol
LogP1.66
Rot. Bonds4

About 3-(2-ethylpyrrolidin-3-yl)propanoic acid;hydrochloride

3-(2-ethylpyrrolidin-3-yl)propanoic acid;hydrochloride (PubChem CID 174214436) has the molecular formula C9H18ClNO2 and a molecular weight of 207.70 g/mol. Its IUPAC name is 3-(2-ethylpyrrolidin-3-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(2-ethylpyrrolidin-3-yl)propanoic acid;hydrochloride
PubChem CID174214436
Molecular FormulaC9H18ClNO2
Molecular Weight207.70 g/mol
Exact Mass207.10
IUPAC Name3-(2-ethylpyrrolidin-3-yl)propanoic acid;hydrochloride
SMILESCCC1NCCC1CCC(=O)O.Cl
InChIInChI=1S/C9H17NO2.ClH/c1-2-8-7(5-6-10-8)3-4-9(11)12;/h7-8,10H,2-6H2,1H3,(H,11,12);1H
InChIKeyBHXHADKWQUXEBB-UHFFFAOYSA-N
XLogP1.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Endo-8-azabicyclo[3.2.1]octane-2-carboxylic acid hcl
CID 91826003
Cis-4-(methylamino)cyclohexanecarboxylic acid
CID 429561
(5r)-5-Tert-butyl-l-proline
CID 11829903
(4R)-4-Propyl-L-proline
CID 14311266
5-t-Butylproline
CID 53658191
4-propyl-L-proline
CID 53773578
(2S,3R)-3-(3-methylbutyl)pyrrolidine-2-carboxylic acid
CID 67254509
CID 54599954
CID 54599954
trans-4-(1-Pyrrolidinyl)cyclohexanecarboxylate hydrochloride
CID 68450221

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpyrrolidin-3-yl)propanoic acid;hydrochloride?
The IUPAC name of 3-(2-ethylpyrrolidin-3-yl)propanoic acid;hydrochloride (CID 174214436) is 3-(2-ethylpyrrolidin-3-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(2-ethylpyrrolidin-3-yl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(2-ethylpyrrolidin-3-yl)propanoic acid;hydrochloride is CCC1NCCC1CCC(=O)O.Cl.
What is the InChIKey of 3-(2-ethylpyrrolidin-3-yl)propanoic acid;hydrochloride?
The InChIKey is BHXHADKWQUXEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.ClH/c1-2-8-7(5-6-10-8)3-4-9(11)12;/h7-8,10H,2-6H2,1H3,(H,11,12);1H.
What are the key properties of 3-(2-ethylpyrrolidin-3-yl)propanoic acid;hydrochloride?
3-(2-ethylpyrrolidin-3-yl)propanoic acid;hydrochloride has a molecular weight of 207.70 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpyrrolidin-3-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 174214436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).