2-[1-(5,5-diphenylpentyl)pyrrolidin-3-yl]acetic acid;hydrochloride

C23H30ClNO2 — CID 70478194

IUPAC2-[1-(5,5-diphenylpentyl)pyrrolidin-3-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)CC1CCN(CCCCC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H29NO2.ClH/c25-23(26)17-19-14-16-24(18-19)15-8-7-13-22(20-9-3-1-4-10-20)21-11-5-2-6-12-21;/h1-6,9-12,19,22H,7-8,13-18H2,(H,25,26);1H
InChIKeyQHUGTAPGKKEXAJ-UHFFFAOYSA-N
MW387.95 g/mol
LogP5.21
Rot. Bonds9

About 2-[1-(5,5-diphenylpentyl)pyrrolidin-3-yl]acetic acid;hydrochloride

2-[1-(5,5-diphenylpentyl)pyrrolidin-3-yl]acetic acid;hydrochloride (PubChem CID 70478194) has the molecular formula C23H30ClNO2 and a molecular weight of 387.95 g/mol. Its IUPAC name is 2-[1-(5,5-diphenylpentyl)pyrrolidin-3-yl]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[1-(5,5-diphenylpentyl)pyrrolidin-3-yl]acetic acid;hydrochloride
PubChem CID70478194
Molecular FormulaC23H30ClNO2
Molecular Weight387.95 g/mol
Exact Mass387.20
IUPAC Name2-[1-(5,5-diphenylpentyl)pyrrolidin-3-yl]acetic acid;hydrochloride
SMILESCl.O=C(O)CC1CCN(CCCCC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H29NO2.ClH/c25-23(26)17-19-14-16-24(18-19)15-8-7-13-22(20-9-3-1-4-10-20)21-11-5-2-6-12-21;/h1-6,9-12,19,22H,7-8,13-18H2,(H,25,26);1H
InChIKeyQHUGTAPGKKEXAJ-UHFFFAOYSA-N
XLogP5.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.95
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-[bis(4-chlorophenyl)methoxy]ethyl]pyrrolidin-3-yl]acetic acid
CID 10476538
1-(6,6-diphenylhexyl)piperidine
CID 161365973
(3S)-1-(3,3-diphenylpropyl)pyrrolidin-3-amine
CID 58636592
2-[1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperidin-4-yl]acetic acid
CID 22998296
[1-(2,2-diphenylethyl)pyrrolidin-3-yl]methanamine
CID 50982031
[(3S)-1-(4-phenylbutyl)pyrrolidin-3-yl]methanol
CID 129380566
3-(3-benzylpyrrolidin-1-yl)propanoic acid
CID 119138114
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
2-[4-[3-(hydroxymethyl)pyrrolidin-1-yl]butyl]isoindole-1,3-dione
CID 111442706
3-[3-(aminomethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid
CID 64566086
1-(3,3-diphenylpropyl)piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 22254650
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5,5-diphenylpentyl)pyrrolidin-3-yl]acetic acid;hydrochloride?
The IUPAC name of 2-[1-(5,5-diphenylpentyl)pyrrolidin-3-yl]acetic acid;hydrochloride (CID 70478194) is 2-[1-(5,5-diphenylpentyl)pyrrolidin-3-yl]acetic acid;hydrochloride.
What is the SMILES notation for 2-[1-(5,5-diphenylpentyl)pyrrolidin-3-yl]acetic acid;hydrochloride?
The canonical SMILES for 2-[1-(5,5-diphenylpentyl)pyrrolidin-3-yl]acetic acid;hydrochloride is Cl.O=C(O)CC1CCN(CCCCC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 2-[1-(5,5-diphenylpentyl)pyrrolidin-3-yl]acetic acid;hydrochloride?
The InChIKey is QHUGTAPGKKEXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2.ClH/c25-23(26)17-19-14-16-24(18-19)15-8-7-13-22(20-9-3-1-4-10-20)21-11-5-2-6-12-21;/h1-6,9-12,19,22H,7-8,13-18H2,(H,25,26);1H.
What are the key properties of 2-[1-(5,5-diphenylpentyl)pyrrolidin-3-yl]acetic acid;hydrochloride?
2-[1-(5,5-diphenylpentyl)pyrrolidin-3-yl]acetic acid;hydrochloride has a molecular weight of 387.95 g/mol, XLogP of 5.21, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5,5-diphenylpentyl)pyrrolidin-3-yl]acetic acid;hydrochloride is sourced from PubChem (CID 70478194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).