2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid

C13H22N2O4 — CID 64617844

IUPAC2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCCN(CC1CCCO1)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-2-14(9-11-4-3-5-19-11)13(18)15-7-10(8-15)6-12(16)17/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyBSBJUILXSORFHW-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.01
Rot. Bonds5

About 2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid

2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid (PubChem CID 64617844) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid
PubChem CID64617844
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCCN(CC1CCCO1)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-2-14(9-11-4-3-5-19-11)13(18)15-7-10(8-15)6-12(16)17/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyBSBJUILXSORFHW-UHFFFAOYSA-N
XLogP1.01
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]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

1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720413
N-ethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 115590777
1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
CID 61439374
2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61439282
2-[2-[ethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569741
1-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61439518
1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61439519
2-[1-[ethyl(2-methoxyethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618832
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid
CID 61439375
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 62638434
2-[1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]azetidin-3-yl]acetic acid
CID 103103337
2-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978575

Frequently Asked Questions

What is the IUPAC name of 2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid (CID 64617844) is 2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid is CCN(CC1CCCO1)C(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is BSBJUILXSORFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-2-14(9-11-4-3-5-19-11)13(18)15-7-10(8-15)6-12(16)17/h10-11H,2-9H2,1H3,(H,16,17).
What are the key properties of 2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid?
2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64617844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).