2-[1-(1-methyl-2-oxopyridine-4-carbonyl)azetidin-3-yl]acetic acid

C12H14N2O4 — CID 64605969

IUPAC2-[1-(1-methyl-2-oxopyridine-4-carbonyl)azetidin-3-yl]acetic acid
SMILESCn1ccc(C(=O)N2CC(CC(=O)O)C2)cc1=O
InChIInChI=1S/C12H14N2O4/c1-13-3-2-9(5-10(13)15)12(18)14-6-8(7-14)4-11(16)17/h2-3,5,8H,4,6-7H2,1H3,(H,16,17)
InChIKeyGMKNKHRLRXQSML-UHFFFAOYSA-N
MW250.25 g/mol
LogP-0.07
Rot. Bonds3

About 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)azetidin-3-yl]acetic acid

2-[1-(1-methyl-2-oxopyridine-4-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 64605969) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-methyl-2-oxopyridine-4-carbonyl)azetidin-3-yl]acetic acid
PubChem CID64605969
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-[1-(1-methyl-2-oxopyridine-4-carbonyl)azetidin-3-yl]acetic acid
SMILESCn1ccc(C(=O)N2CC(CC(=O)O)C2)cc1=O
InChIInChI=1S/C12H14N2O4/c1-13-3-2-9(5-10(13)15)12(18)14-6-8(7-14)4-11(16)17/h2-3,5,8H,4,6-7H2,1H3,(H,16,17)
InChIKeyGMKNKHRLRXQSML-UHFFFAOYSA-N
XLogP-0.07
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)azetidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 79411364
4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 103793640
2-[1-(4-methylbenzoyl)azetidin-3-yl]acetic acid
CID 64603311
2-[1-(3,4-dimethoxybenzoyl)azetidin-3-yl]acetic acid
CID 64604545
2-[1-(3-bromo-4-chlorobenzoyl)azetidin-3-yl]acetic acid
CID 107997929
2-[1-(3-chlorobenzoyl)azetidin-3-yl]acetic acid
CID 64603115
2-[1-(3-iodobenzoyl)azetidin-3-yl]acetic acid
CID 64605804
2-[1-(4-hydroxybenzoyl)azetidin-3-yl]acetic acid
CID 64603735
4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 103709456
1-methyl-4-[4-(methylamino)piperidine-1-carbonyl]pyridin-2-one
CID 113263745
2-[1-(5-bromothiophene-3-carbonyl)azetidin-3-yl]acetic acid
CID 64603552
4-(4-amino-3-methylpiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113263748

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)azetidin-3-yl]acetic acid (CID 64605969) is 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)azetidin-3-yl]acetic acid is Cn1ccc(C(=O)N2CC(CC(=O)O)C2)cc1=O.
What is the InChIKey of 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is GMKNKHRLRXQSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-13-3-2-9(5-10(13)15)12(18)14-6-8(7-14)4-11(16)17/h2-3,5,8H,4,6-7H2,1H3,(H,16,17).
What are the key properties of 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(1-methyl-2-oxopyridine-4-carbonyl)azetidin-3-yl]acetic acid has a molecular weight of 250.25 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methyl-2-oxopyridine-4-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64605969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).