2-[1-(4-phenylcyclohexyl)azetidin-3-yl]propanoic acid

C18H25NO2 — CID 116684623

IUPAC2-[1-(4-phenylcyclohexyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C18H25NO2/c1-13(18(20)21)16-11-19(12-16)17-9-7-15(8-10-17)14-5-3-2-4-6-14/h2-6,13,15-17H,7-12H2,1H3,(H,20,21)
InChIKeyOQNHGCNOEDRBSN-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.37
Rot. Bonds4

About 2-[1-(4-phenylcyclohexyl)azetidin-3-yl]propanoic acid

2-[1-(4-phenylcyclohexyl)azetidin-3-yl]propanoic acid (PubChem CID 116684623) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-[1-(4-phenylcyclohexyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(4-phenylcyclohexyl)azetidin-3-yl]propanoic acid
PubChem CID116684623
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name2-[1-(4-phenylcyclohexyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C18H25NO2/c1-13(18(20)21)16-11-19(12-16)17-9-7-15(8-10-17)14-5-3-2-4-6-14/h2-6,13,15-17H,7-12H2,1H3,(H,20,21)
InChIKeyOQNHGCNOEDRBSN-UHFFFAOYSA-N
XLogP3.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(4-phenylcyclohexyl)azetidine
CID 90791432
4-phenyl-1-(4-propan-2-ylcyclohexyl)piperidine
CID 142115785
2-[4-(4-aminophenyl)cyclohexyl]propanoic acid
CID 68682139
2-[(4-phenylcyclohexyl)methyl]propanedioic acid
CID 18768944
7-azabicyclo[2.2.1]heptan-7-yl-(4-phenylcyclohexyl)methanone
CID 167913820
2-[1-(2-hydroxycyclopentyl)azetidin-3-yl]propanoic acid
CID 116684067
[(3S)-1-(4-phenylcyclohexyl)piperidin-3-yl]methanol
CID 26458344
benzene;cyclopropylbenzene
CID 144638417
4-phenyl-1-[(1S,5R)-3-(4-phenylcyclohexyl)-3-azabicyclo[3.1.0]hexan-6-yl]butan-1-one
CID 159040050
2,4-bis(4-phenylpiperidin-1-yl)pentan-3-one
CID 174394805
2-[(4-phenylcyclohexanecarbonyl)amino]propanoic acid
CID 119225869
2-methyl-3-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 79406550

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-phenylcyclohexyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(4-phenylcyclohexyl)azetidin-3-yl]propanoic acid (CID 116684623) is 2-[1-(4-phenylcyclohexyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(4-phenylcyclohexyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(4-phenylcyclohexyl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C2CCC(c3ccccc3)CC2)C1.
What is the InChIKey of 2-[1-(4-phenylcyclohexyl)azetidin-3-yl]propanoic acid?
The InChIKey is OQNHGCNOEDRBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-13(18(20)21)16-11-19(12-16)17-9-7-15(8-10-17)14-5-3-2-4-6-14/h2-6,13,15-17H,7-12H2,1H3,(H,20,21).
What are the key properties of 2-[1-(4-phenylcyclohexyl)azetidin-3-yl]propanoic acid?
2-[1-(4-phenylcyclohexyl)azetidin-3-yl]propanoic acid has a molecular weight of 287.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-phenylcyclohexyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116684623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).