4-pyrrolidin-1-ylbutanoic acid;hydrochloride

C8H16ClNO2 — CID 14855682

IUPAC4-pyrrolidin-1-ylbutanoic acid;hydrochloride
SMILESCl.O=C(O)CCCN1CCCC1
InChIInChI=1S/C8H15NO2.ClH/c10-8(11)4-3-7-9-5-1-2-6-9;/h1-7H2,(H,10,11);1H
InChIKeyZEWPJQOFVHRHKN-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.37
Rot. Bonds4

About 4-pyrrolidin-1-ylbutanoic acid;hydrochloride

4-pyrrolidin-1-ylbutanoic acid;hydrochloride (PubChem CID 14855682) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name4-pyrrolidin-1-ylbutanoic acid;hydrochloride
PubChem CID14855682
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name4-pyrrolidin-1-ylbutanoic acid;hydrochloride
SMILESCl.O=C(O)CCCN1CCCC1
InChIInChI=1S/C8H15NO2.ClH/c10-8(11)4-3-7-9-5-1-2-6-9;/h1-7H2,(H,10,11);1H
InChIKeyZEWPJQOFVHRHKN-UHFFFAOYSA-N
XLogP1.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

(3-Carboxypropyl)trimethylammonium chloride
CID 22620
4-(2-Oxopyrrolidin-1-yl)butanoic acid
CID 3146689
1-(3-Carboxypropyl)-1-Methylpyrrolidin-1-Ium
CID 21578870
3-carboxy-N-(2-fluoroethyl)-N,N-dimethylpropan-1-aminium chloride
CID 70673857
Butyric acid, 4-(diethylamino)-
CID 44844
4-(Dipropylamino)butanoic acid hydrochloride
CID 49860448
4-(Diethylamino)butanoic acid hydrochloride
CID 13795539
4-(1-Methylpyrrolidin-1-ium-1-yl)butanoic acid chloride
CID 90655224
1-Pyrrolidinebutanoic acid
CID 14855681
Ethyl-Dimethyl-(4-Oxidanyl-4-Oxidanylidene-Butyl)azanium
CID 51347809
4-(Dipropylamino)butanoic acid
CID 13735415
4-(Methyl(propan-2-yl)amino)butanoic acid hydrochloride
CID 165675460

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylbutanoic acid;hydrochloride?
The IUPAC name of 4-pyrrolidin-1-ylbutanoic acid;hydrochloride (CID 14855682) is 4-pyrrolidin-1-ylbutanoic acid;hydrochloride.
What is the SMILES notation for 4-pyrrolidin-1-ylbutanoic acid;hydrochloride?
The canonical SMILES for 4-pyrrolidin-1-ylbutanoic acid;hydrochloride is Cl.O=C(O)CCCN1CCCC1.
What is the InChIKey of 4-pyrrolidin-1-ylbutanoic acid;hydrochloride?
The InChIKey is ZEWPJQOFVHRHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c10-8(11)4-3-7-9-5-1-2-6-9;/h1-7H2,(H,10,11);1H.
What are the key properties of 4-pyrrolidin-1-ylbutanoic acid;hydrochloride?
4-pyrrolidin-1-ylbutanoic acid;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylbutanoic acid;hydrochloride is sourced from PubChem (CID 14855682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).