pentan-2-yl 2-(azetidin-3-yl)propanoate

C11H21NO2 — CID 102982642

IUPACpentan-2-yl 2-(azetidin-3-yl)propanoate
SMILESCCCC(C)OC(=O)C(C)C1CNC1
InChIInChI=1S/C11H21NO2/c1-4-5-8(2)14-11(13)9(3)10-6-12-7-10/h8-10,12H,4-7H2,1-3H3
InChIKeyIEPUAEGXWIZSFC-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.57
Rot. Bonds5

About pentan-2-yl 2-(azetidin-3-yl)propanoate

pentan-2-yl 2-(azetidin-3-yl)propanoate (PubChem CID 102982642) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is pentan-2-yl 2-(azetidin-3-yl)propanoate.

Molecular Properties

Compound Namepentan-2-yl 2-(azetidin-3-yl)propanoate
PubChem CID102982642
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namepentan-2-yl 2-(azetidin-3-yl)propanoate
SMILESCCCC(C)OC(=O)C(C)C1CNC1
InChIInChI=1S/C11H21NO2/c1-4-5-8(2)14-11(13)9(3)10-6-12-7-10/h8-10,12H,4-7H2,1-3H3
InChIKeyIEPUAEGXWIZSFC-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze pentan-2-yl 2-(azetidin-3-yl)propanoate 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-Methylethyl cis-3-(methylamino)cyclobutanecarboxylate
CID 146294428
Ethyl 2-(azetidin-3-yl)-2-fluoroacetate
CID 119032072
Tert-butyl 2-(azetidin-3-yl)-2-fluoroacetate
CID 137938000
ethyl (2S)-2-(azetidin-3-yl)-2-fluoroacetate
CID 124710137
ethyl (2R)-2-(azetidin-3-yl)-2-fluoroacetate
CID 124710138
Ethyl 2-(azetidin-3-yl)acetate
CID 54328202
Tert-butyl 2-(azetidin-3-yl)acetate
CID 58254776
Azetidin-3-ylmethyl 3-methylbutanoate
CID 68047864
3-Azetidineacetic acid ethyl ester hydrochloride
CID 68918907
Ethyl 2-(3-azetidinyl)acetate Hydrochloride
CID 69072402
Methyl 2-(azetidin-3-yl)-2-methylpropanoate
CID 84080432
Propyl 2-methyl-4-(methylamino)butanoate
CID 89046972

Frequently Asked Questions

What is the IUPAC name of pentan-2-yl 2-(azetidin-3-yl)propanoate?
The IUPAC name of pentan-2-yl 2-(azetidin-3-yl)propanoate (CID 102982642) is pentan-2-yl 2-(azetidin-3-yl)propanoate.
What is the SMILES notation for pentan-2-yl 2-(azetidin-3-yl)propanoate?
The canonical SMILES for pentan-2-yl 2-(azetidin-3-yl)propanoate is CCCC(C)OC(=O)C(C)C1CNC1.
What is the InChIKey of pentan-2-yl 2-(azetidin-3-yl)propanoate?
The InChIKey is IEPUAEGXWIZSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-5-8(2)14-11(13)9(3)10-6-12-7-10/h8-10,12H,4-7H2,1-3H3.
What are the key properties of pentan-2-yl 2-(azetidin-3-yl)propanoate?
pentan-2-yl 2-(azetidin-3-yl)propanoate has a molecular weight of 199.29 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-yl 2-(azetidin-3-yl)propanoate is sourced from PubChem (CID 102982642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).