1-(4-methyl-2-phenylpentyl)azetidine-3-carboxylic acid

C16H23NO2 — CID 122046799

IUPAC1-(4-methyl-2-phenylpentyl)azetidine-3-carboxylic acid
SMILESCC(C)CC(CN1CC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-12(2)8-14(13-6-4-3-5-7-13)9-17-10-15(11-17)16(18)19/h3-7,12,14-15H,8-11H2,1-2H3,(H,18,19)
InChIKeyILBHFYRBHFBCSP-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.83
Rot. Bonds6

About 1-(4-methyl-2-phenylpentyl)azetidine-3-carboxylic acid

1-(4-methyl-2-phenylpentyl)azetidine-3-carboxylic acid (PubChem CID 122046799) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(4-methyl-2-phenylpentyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methyl-2-phenylpentyl)azetidine-3-carboxylic acid
PubChem CID122046799
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(4-methyl-2-phenylpentyl)azetidine-3-carboxylic acid
SMILESCC(C)CC(CN1CC(C(=O)O)C1)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-12(2)8-14(13-6-4-3-5-7-13)9-17-10-15(11-17)16(18)19/h3-7,12,14-15H,8-11H2,1-2H3,(H,18,19)
InChIKeyILBHFYRBHFBCSP-UHFFFAOYSA-N
XLogP2.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3S)-3-phenylbutyl]azetidine-3-carboxylic acid
CID 129371946
1-[(3R)-3-phenylbutyl]azetidine-3-carboxylic acid
CID 129371947
(3R)-1-[(2S)-2-phenylpropyl]pyrrolidine-3-carboxylic acid
CID 129413679
1-(2,2-diphenylethyl)-5-methylpiperidine-3-carboxylic acid
CID 122125184
1-(1-phenylethyl)azetidine-3-carboxylic acid
CID 65071589
4-[(3-methyl-1-phenylbutyl)amino]cyclohexane-1-carboxylic acid
CID 65054767
(3S,4S)-1-(2-phenylbutyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122045659
1-[2-[4-(trifluoromethyl)phenyl]propyl]azetidine-3-carboxylic acid
CID 122046781
(3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 174863774
1-(2-phenylpropyl)azetidin-3-ol
CID 121200321
1-[2-(4-propan-2-ylphenyl)ethyl]azetidine-3-carboxylic acid
CID 122046852
1-(2-hydroxy-2-phenylethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721423

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-phenylpentyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(4-methyl-2-phenylpentyl)azetidine-3-carboxylic acid (CID 122046799) is 1-(4-methyl-2-phenylpentyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methyl-2-phenylpentyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(4-methyl-2-phenylpentyl)azetidine-3-carboxylic acid is CC(C)CC(CN1CC(C(=O)O)C1)c1ccccc1.
What is the InChIKey of 1-(4-methyl-2-phenylpentyl)azetidine-3-carboxylic acid?
The InChIKey is ILBHFYRBHFBCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12(2)8-14(13-6-4-3-5-7-13)9-17-10-15(11-17)16(18)19/h3-7,12,14-15H,8-11H2,1-2H3,(H,18,19).
What are the key properties of 1-(4-methyl-2-phenylpentyl)azetidine-3-carboxylic acid?
1-(4-methyl-2-phenylpentyl)azetidine-3-carboxylic acid has a molecular weight of 261.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-phenylpentyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 122046799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).