2-pyrrolidin-1-ylpropanoic acid;hydrochloride

C7H14ClNO2 — CID 45074903

IUPAC2-pyrrolidin-1-ylpropanoic acid;hydrochloride
SMILESCC(C(=O)O)N1CCCC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-6(7(9)10)8-4-2-3-5-8;/h6H,2-5H2,1H3,(H,9,10);1H
InChIKeyNIODDMURQJWDSI-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.98
Rot. Bonds2

About 2-pyrrolidin-1-ylpropanoic acid;hydrochloride

2-pyrrolidin-1-ylpropanoic acid;hydrochloride (PubChem CID 45074903) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-1-ylpropanoic acid;hydrochloride
PubChem CID45074903
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name2-pyrrolidin-1-ylpropanoic acid;hydrochloride
SMILESCC(C(=O)O)N1CCCC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-6(7(9)10)8-4-2-3-5-8;/h6H,2-5H2,1H3,(H,9,10);1H
InChIKeyNIODDMURQJWDSI-UHFFFAOYSA-N
XLogP0.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 127263393
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
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2-pyrrolidin-1-ylpropanamide;dihydrochloride
CID 142642428
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 62312460
2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid
CID 121201886
2-pyrrolidin-1-ylpropanoyl fluoride
CID 139759345
(2S)-2-pyrrolidin-1-ylpropanamide
CID 39248173
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]propanoic acid
CID 62317248
2-[16-(1-carboxyethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propanoic acid
CID 15241477
(2R)-2-(4,4-difluoropiperidin-1-yl)propanoic acid
CID 129463029
propan-2-one;1-propan-2-ylpyrrolidine
CID 160872903
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 62310681

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylpropanoic acid;hydrochloride?
The IUPAC name of 2-pyrrolidin-1-ylpropanoic acid;hydrochloride (CID 45074903) is 2-pyrrolidin-1-ylpropanoic acid;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-1-ylpropanoic acid;hydrochloride?
The canonical SMILES for 2-pyrrolidin-1-ylpropanoic acid;hydrochloride is CC(C(=O)O)N1CCCC1.Cl.
What is the InChIKey of 2-pyrrolidin-1-ylpropanoic acid;hydrochloride?
The InChIKey is NIODDMURQJWDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-6(7(9)10)8-4-2-3-5-8;/h6H,2-5H2,1H3,(H,9,10);1H.
What are the key properties of 2-pyrrolidin-1-ylpropanoic acid;hydrochloride?
2-pyrrolidin-1-ylpropanoic acid;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 45074903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).