2-[1-[(2-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid

C16H22N2O3 — CID 116683401

IUPAC2-[1-[(2-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
SMILESCCc1ccccc1CNC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C16H22N2O3/c1-3-12-6-4-5-7-13(12)8-17-16(21)18-9-14(10-18)11(2)15(19)20/h4-7,11,14H,3,8-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyQRJADVCPXDCBRX-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.11
Rot. Bonds5

About 2-[1-[(2-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid

2-[1-[(2-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid (PubChem CID 116683401) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[1-[(2-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[(2-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
PubChem CID116683401
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[1-[(2-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
SMILESCCc1ccccc1CNC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C16H22N2O3/c1-3-12-6-4-5-7-13(12)8-17-16(21)18-9-14(10-18)11(2)15(19)20/h4-7,11,14H,3,8-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyQRJADVCPXDCBRX-UHFFFAOYSA-N
XLogP2.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 106900508
2-[1-[(2-ethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682828
2-[1-(2-phenylethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682805
2-[1-[(3-methyl-4-pyridinyl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 114701386
2-[2-[[(3,4-dimethylpyrrolidine-1-carbonyl)amino]methyl]phenyl]acetic acid
CID 81311304
2-[1-[(5-methylfuran-2-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116683268
2-[1-(propylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116681621
N-[(2-ethylphenyl)methyl]-2-methylpropanamide
CID 64694185
2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]azetidin-3-yl]propanoic acid
CID 114181709
2-[1-(2-aminoethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682968
2-[1-[2-(4-chlorophenyl)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116682965
(2S,4S)-1-[(2-ethylphenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712406

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[(2-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid (CID 116683401) is 2-[1-[(2-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[(2-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[(2-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid is CCc1ccccc1CNC(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-[(2-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid?
The InChIKey is QRJADVCPXDCBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-12-6-4-5-7-13(12)8-17-16(21)18-9-14(10-18)11(2)15(19)20/h4-7,11,14H,3,8-10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 2-[1-[(2-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid?
2-[1-[(2-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-ethylphenyl)methylcarbamoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116683401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).