2-[(3-ethylazetidin-1-yl)methyl]butanoic acid

C10H19NO2 — CID 79694603

IUPAC2-[(3-ethylazetidin-1-yl)methyl]butanoic acid
SMILESCCC1CN(CC(CC)C(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-3-8-5-11(6-8)7-9(4-2)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyMEYQMGYBKTUDMN-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.44
Rot. Bonds5

About 2-[(3-ethylazetidin-1-yl)methyl]butanoic acid

2-[(3-ethylazetidin-1-yl)methyl]butanoic acid (PubChem CID 79694603) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(3-ethylazetidin-1-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(3-ethylazetidin-1-yl)methyl]butanoic acid
PubChem CID79694603
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-[(3-ethylazetidin-1-yl)methyl]butanoic acid
SMILESCCC1CN(CC(CC)C(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-3-8-5-11(6-8)7-9(4-2)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyMEYQMGYBKTUDMN-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3-ethylazetidin-1-yl)methyl]butanoic 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-(1,2,4-triazol-4-ylmethyl)butanoic acid
CID 65224068
2-[(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)methyl]butanoic acid
CID 79580015
ethane;2-ethylbutanoic acid
CID 142229949
CID 87086045
CID 87086045
CID 123134376
CID 123134376
2-[(1-ethylpiperidin-4-yl)methyl]butanoic acid
CID 83983047
2-[(3,4-dimethylpyrrol-1-yl)methyl]butanoic acid
CID 19761781
2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
6-(3-ethylazetidin-1-yl)-2-methylheptanoic acid
CID 79695121
2-(2,5-dihydropyrrol-1-ylmethyl)pentanoic acid
CID 65223862
2-ethyl-4-(4-methylpiperazin-1-yl)butanoic acid
CID 67309269

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylazetidin-1-yl)methyl]butanoic acid?
The IUPAC name of 2-[(3-ethylazetidin-1-yl)methyl]butanoic acid (CID 79694603) is 2-[(3-ethylazetidin-1-yl)methyl]butanoic acid.
What is the SMILES notation for 2-[(3-ethylazetidin-1-yl)methyl]butanoic acid?
The canonical SMILES for 2-[(3-ethylazetidin-1-yl)methyl]butanoic acid is CCC1CN(CC(CC)C(=O)O)C1.
What is the InChIKey of 2-[(3-ethylazetidin-1-yl)methyl]butanoic acid?
The InChIKey is MEYQMGYBKTUDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-8-5-11(6-8)7-9(4-2)10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-[(3-ethylazetidin-1-yl)methyl]butanoic acid?
2-[(3-ethylazetidin-1-yl)methyl]butanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylazetidin-1-yl)methyl]butanoic acid is sourced from PubChem (CID 79694603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).