2-[1-[(4-butylphenyl)carbamoyl]azetidin-3-yl]acetic acid

C16H22N2O3 — CID 64617432

IUPAC2-[1-[(4-butylphenyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCCCCc1ccc(NC(=O)N2CC(CC(=O)O)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-3-4-12-5-7-14(8-6-12)17-16(21)18-10-13(11-18)9-15(19)20/h5-8,13H,2-4,9-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyFYRKAQASAUUWPZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.97
Rot. Bonds6

About 2-[1-[(4-butylphenyl)carbamoyl]azetidin-3-yl]acetic acid

2-[1-[(4-butylphenyl)carbamoyl]azetidin-3-yl]acetic acid (PubChem CID 64617432) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[(4-butylphenyl)carbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-butylphenyl)carbamoyl]azetidin-3-yl]acetic acid
PubChem CID64617432
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[(4-butylphenyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCCCCc1ccc(NC(=O)N2CC(CC(=O)O)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-2-3-4-12-5-7-14(8-6-12)17-16(21)18-10-13(11-18)9-15(19)20/h5-8,13H,2-4,9-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyFYRKAQASAUUWPZ-UHFFFAOYSA-N
XLogP2.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-butylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110890423
N-(4-butylphenyl)pyrrolidine-1-carboxamide
CID 6467545
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618602
2-[1-[(4-methylsulfanylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618401
N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide
CID 115581766
2-[1-[(4-ethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689955
2-[1-[2-oxo-2-(4-propylanilino)ethyl]azetidin-3-yl]acetic acid
CID 64616096
4-[(4-butylphenyl)carbamothioyl]-N-phenylpiperazine-1-carboxamide
CID 9240911
3-[4-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]phenyl]propanoic acid
CID 115340995
N-(4-butylphenyl)-2-(methoxymethyl)morpholine-4-carboxamide
CID 71992880
N-(4-butylphenyl)-4-(3-cyclopropylpropanoyl)-1,4-diazepane-1-carboxamide
CID 24948113
N,N'-bis(4-butylphenyl)oxamide
CID 3438016

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-butylphenyl)carbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(4-butylphenyl)carbamoyl]azetidin-3-yl]acetic acid (CID 64617432) is 2-[1-[(4-butylphenyl)carbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4-butylphenyl)carbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(4-butylphenyl)carbamoyl]azetidin-3-yl]acetic acid is CCCCc1ccc(NC(=O)N2CC(CC(=O)O)C2)cc1.
What is the InChIKey of 2-[1-[(4-butylphenyl)carbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is FYRKAQASAUUWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-3-4-12-5-7-14(8-6-12)17-16(21)18-10-13(11-18)9-15(19)20/h5-8,13H,2-4,9-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[(4-butylphenyl)carbamoyl]azetidin-3-yl]acetic acid?
2-[1-[(4-butylphenyl)carbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-butylphenyl)carbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64617432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).