2-[1-[2-(2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid

C14H18N2O3 — CID 64618917

IUPAC2-[1-[2-(2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
SMILESCc1ccccc1NC(=O)CN1CC(CC(=O)O)C1
InChIInChI=1S/C14H18N2O3/c1-10-4-2-3-5-12(10)15-13(17)9-16-7-11(8-16)6-14(18)19/h2-5,11H,6-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyWPZJQNKWDAAQHL-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.34
Rot. Bonds5

About 2-[1-[2-(2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid

2-[1-[2-(2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid (PubChem CID 64618917) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[1-[2-(2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
PubChem CID64618917
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[1-[2-(2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
SMILESCc1ccccc1NC(=O)CN1CC(CC(=O)O)C1
InChIInChI=1S/C14H18N2O3/c1-10-4-2-3-5-12(10)15-13(17)9-16-7-11(8-16)6-14(18)19/h2-5,11H,6-9H2,1H3,(H,15,17)(H,18,19)
InChIKeyWPZJQNKWDAAQHL-UHFFFAOYSA-N
XLogP1.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(2-methylsulfanylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618693
2-[1-[2-(2-methoxyanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64617921
2-[1-[2-(4-iodo-2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64617120
2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64616406
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride
CID 119918095
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylphenyl)acetamide
CID 60818956
N-(2-methylphenyl)-2-(4-oxopiperidin-1-yl)acetamide
CID 24693967
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
2-[1-[2-(4-ethylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64616490
N-(2-methylphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 175654128
2-(2-methylmorpholin-4-yl)-N-(2-methylphenyl)acetamide
CID 51295683
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-methylphenyl)acetamide
CID 11940545

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid (CID 64618917) is 2-[1-[2-(2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid is Cc1ccccc1NC(=O)CN1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[2-(2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid?
The InChIKey is WPZJQNKWDAAQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-4-2-3-5-12(10)15-13(17)9-16-7-11(8-16)6-14(18)19/h2-5,11H,6-9H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[1-[2-(2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid?
2-[1-[2-(2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).