1-[methyl-(2-methyloxolan-3-yl)carbamoyl]azetidine-3-carboxylic acid

C11H18N2O4 — CID 82741951

IUPAC1-[methyl-(2-methyloxolan-3-yl)carbamoyl]azetidine-3-carboxylic acid
SMILESCC1OCCC1N(C)C(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C11H18N2O4/c1-7-9(3-4-17-7)12(2)11(16)13-5-8(6-13)10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)
InChIKeyKZDYMDKPIKAQCO-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.23
Rot. Bonds2

About 1-[methyl-(2-methyloxolan-3-yl)carbamoyl]azetidine-3-carboxylic acid

1-[methyl-(2-methyloxolan-3-yl)carbamoyl]azetidine-3-carboxylic acid (PubChem CID 82741951) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-[methyl-(2-methyloxolan-3-yl)carbamoyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-(2-methyloxolan-3-yl)carbamoyl]azetidine-3-carboxylic acid
PubChem CID82741951
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1-[methyl-(2-methyloxolan-3-yl)carbamoyl]azetidine-3-carboxylic acid
SMILESCC1OCCC1N(C)C(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C11H18N2O4/c1-7-9(3-4-17-7)12(2)11(16)13-5-8(6-13)10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15)
InChIKeyKZDYMDKPIKAQCO-UHFFFAOYSA-N
XLogP0.23
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[methyl-(2-methyloxolan-3-yl)carbamoyl]azetidine-3-carboxylic 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

1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 82742033
3-[4-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperazin-1-yl]propanoic acid
CID 82730720
4-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 114425828
N-methyl-N-(2-methyloxolan-3-yl)-2-sulfanylpropanamide
CID 107033647
2-ethyl-3-[methyl-(2-methyloxolan-3-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 82743062
2-methyl-1-[methyl-(2-methyloxolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 82742275
methyl N-methyl-N-(2-methyloxolan-3-yl)carbamate
CID 116657138
N-methyl-N-(2-methyloxolan-3-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 82745104
5-amino-N,2-dimethyl-N-(2-methyloxolan-3-yl)pentanamide
CID 104685498
2-chloro-N-methyl-N-(2-methyloxolan-3-yl)acetamide
CID 82733963
1-(2-methyloxolane-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79750690
(3S)-1-[methyl-(2-methylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125807

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(2-methyloxolan-3-yl)carbamoyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[methyl-(2-methyloxolan-3-yl)carbamoyl]azetidine-3-carboxylic acid (CID 82741951) is 1-[methyl-(2-methyloxolan-3-yl)carbamoyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[methyl-(2-methyloxolan-3-yl)carbamoyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[methyl-(2-methyloxolan-3-yl)carbamoyl]azetidine-3-carboxylic acid is CC1OCCC1N(C)C(=O)N1CC(C(=O)O)C1.
What is the InChIKey of 1-[methyl-(2-methyloxolan-3-yl)carbamoyl]azetidine-3-carboxylic acid?
The InChIKey is KZDYMDKPIKAQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-7-9(3-4-17-7)12(2)11(16)13-5-8(6-13)10(14)15/h7-9H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 1-[methyl-(2-methyloxolan-3-yl)carbamoyl]azetidine-3-carboxylic acid?
1-[methyl-(2-methyloxolan-3-yl)carbamoyl]azetidine-3-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(2-methyloxolan-3-yl)carbamoyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 82741951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).