2-[(3-phenylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid

C16H21NO2 — CID 79688831

IUPAC2-[(3-phenylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1CN1CC(c2ccccc2)C1
InChIInChI=1S/C16H21NO2/c18-16(19)15-8-4-7-13(15)9-17-10-14(11-17)12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2,(H,18,19)
InChIKeyCUQAEXMILWACAS-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.59
Rot. Bonds4

About 2-[(3-phenylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid

2-[(3-phenylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 79688831) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[(3-phenylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-phenylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID79688831
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name2-[(3-phenylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1CN1CC(c2ccccc2)C1
InChIInChI=1S/C16H21NO2/c18-16(19)15-8-4-7-13(15)9-17-10-14(11-17)12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2,(H,18,19)
InChIKeyCUQAEXMILWACAS-UHFFFAOYSA-N
XLogP2.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-phenylcyclohexyl)methyl]azetidine-3-carboxylic acid
CID 122046802
(2R)-2-[(1,3-dioxobenzo[f]isoindol-2-yl)methyl]cyclopentane-1-carboxylic acid
CID 142013394
2-[(3-propylazetidin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 79688129
cis-(1R,2S)-2-benzylcyclohexane-1-carboxylic acid
CID 71363465
4-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol
CID 106131728
trans-(1S,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexan-1-ol
CID 70691042
4-phenyl-1-[(2-phenylcyclopentyl)methyl]piperidine
CID 70259114
[(1R,2S)-2-[(4-phenylpiperidin-1-yl)methyl]cyclohexyl]carbamic acid
CID 141194204
trans-(1R,3R)-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124778341
cis-(1R,2S)-4-phenylcyclohexane-1,2-dicarboxylic acid
CID 58895627
(2-hydroxycyclopentyl)-(3-phenylpyrrolidin-1-yl)methanone
CID 110014366
(2S,3R)-1-methyl-2-phenylpiperidine-3-carboxylic acid
CID 67820250

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-phenylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid (CID 79688831) is 2-[(3-phenylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-phenylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-phenylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1CN1CC(c2ccccc2)C1.
What is the InChIKey of 2-[(3-phenylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is CUQAEXMILWACAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-16(19)15-8-4-7-13(15)9-17-10-14(11-17)12-5-2-1-3-6-12/h1-3,5-6,13-15H,4,7-11H2,(H,18,19).
What are the key properties of 2-[(3-phenylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid?
2-[(3-phenylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 259.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenylazetidin-1-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79688831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).