2-[1-(3-carbamoyl-2-pyridinyl)-3-methylazetidin-3-yl]oxyacetic acid

C12H15N3O4 — CID 102657909

IUPAC2-[1-(3-carbamoyl-2-pyridinyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(c2ncccc2C(N)=O)C1
InChIInChI=1S/C12H15N3O4/c1-12(19-5-9(16)17)6-15(7-12)11-8(10(13)18)3-2-4-14-11/h2-4H,5-7H2,1H3,(H2,13,18)(H,16,17)
InChIKeyVAWPFVYDQVTSCK-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.14
Rot. Bonds5

About 2-[1-(3-carbamoyl-2-pyridinyl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(3-carbamoyl-2-pyridinyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102657909) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[1-(3-carbamoyl-2-pyridinyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(3-carbamoyl-2-pyridinyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102657909
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-[1-(3-carbamoyl-2-pyridinyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(c2ncccc2C(N)=O)C1
InChIInChI=1S/C12H15N3O4/c1-12(19-5-9(16)17)6-15(7-12)11-8(10(13)18)3-2-4-14-11/h2-4H,5-7H2,1H3,(H2,13,18)(H,16,17)
InChIKeyVAWPFVYDQVTSCK-UHFFFAOYSA-N
XLogP-0.14
TPSA105.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-(3-carbamoyl-2-pyridinyl)-3-methylazetidin-3-yl]oxyacetic 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

2-(3-methyl-1-pyridin-4-ylazetidin-3-yl)oxyacetic acid
CID 102658118
2-(6-azaspiro[2.5]octan-6-yl)pyridine-3-carboxamide
CID 163287557
2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102658060
2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66435763
2-[3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]oxyacetic acid
CID 102658024
8-(3-carbamoyl-2-pyridinyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56884605
1-(3-carbamoyl-2-pyridinyl)-4-(2-methoxyphenoxy)piperidine-4-carboxylic acid
CID 70755771
methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate
CID 79770247
2-[3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl]oxyacetic acid
CID 102657962
2-[4-(3-propan-2-yloxypyrazin-2-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 133442979
2-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 126770760
1-(3-carbamoyl-2-pyridinyl)-2-methylpiperidine-2-carboxylic acid
CID 104595801

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-carbamoyl-2-pyridinyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(3-carbamoyl-2-pyridinyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102657909) is 2-[1-(3-carbamoyl-2-pyridinyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(3-carbamoyl-2-pyridinyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(3-carbamoyl-2-pyridinyl)-3-methylazetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(c2ncccc2C(N)=O)C1.
What is the InChIKey of 2-[1-(3-carbamoyl-2-pyridinyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is VAWPFVYDQVTSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-12(19-5-9(16)17)6-15(7-12)11-8(10(13)18)3-2-4-14-11/h2-4H,5-7H2,1H3,(H2,13,18)(H,16,17).
What are the key properties of 2-[1-(3-carbamoyl-2-pyridinyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(3-carbamoyl-2-pyridinyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 265.27 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-carbamoyl-2-pyridinyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).