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

C13H16N2O3 — CID 64616406

IUPAC2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCc1ccccc1NC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C13H16N2O3/c1-9-4-2-3-5-11(9)14-13(18)15-7-10(8-15)6-12(16)17/h2-5,10H,6-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyZJXYQLPGUHQTEF-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.93
Rot. Bonds3

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

2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid (PubChem CID 64616406) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
PubChem CID64616406
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCc1ccccc1NC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C13H16N2O3/c1-9-4-2-3-5-11(9)14-13(18)15-7-10(8-15)6-12(16)17/h2-5,10H,6-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyZJXYQLPGUHQTEF-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(5-bromo-2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618820
2-[1-[2-(2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618917
2-[1-[(2,4-dimethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62690811
2-[1-[(2-chloro-4-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617426
N-(2-methylphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
CID 169493392
3-(4-benzylpiperidin-1-yl)-N-(2-methylphenyl)azetidine-1-carboxamide
CID 23140585
N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide
CID 23140153
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
(3R)-3-(benzenesulfonyl)-N-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 129373851
2-[1-[(4-fluoro-2-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617654
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618602
2-[1-[(4-methylsulfanylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618401

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid (CID 64616406) is 2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid is Cc1ccccc1NC(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is ZJXYQLPGUHQTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-4-2-3-5-11(9)14-13(18)15-7-10(8-15)6-12(16)17/h2-5,10H,6-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid?
2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 248.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).