2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid

C11H19NO3 — CID 64604130

IUPAC2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid
SMILESCCC(CC)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C11H19NO3/c1-3-9(4-2)11(15)12-6-8(7-12)5-10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyAPJAKMGJVJWJRB-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.36
Rot. Bonds5

About 2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid

2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid (PubChem CID 64604130) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid
PubChem CID64604130
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid
SMILESCCC(CC)C(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C11H19NO3/c1-3-9(4-2)11(15)12-6-8(7-12)5-10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyAPJAKMGJVJWJRB-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2-ethylbutanoyl)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

2-[1-(2-ethylbutanoyl)piperidin-3-yl]acetic acid
CID 55105089
2-[1-[(2S,3S)-2-amino-3-methylpentanoyl]azetidin-3-yl]acetic acid
CID 64605406
2-[1-[2-(aminomethyl)butanoyl]piperidin-3-yl]acetic acid
CID 65228465
2-[1-(3-methyl-2-phenylpentanoyl)azetidin-3-yl]acetic acid
CID 64604181
2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid
CID 64605625
2-[1-[butan-2-yl(ethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618614
2-ethyl-1-[3-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
CID 62371308
2-ethyl-1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one
CID 83989799
2-[1-(4-methylpentanoyl)azetidin-3-yl]acetic acid
CID 64605561
2-[1-(2-amino-5-methoxypentanoyl)azetidin-3-yl]acetic acid
CID 81101945
2-(1-ethylazetidin-3-yl)acetic acid;hydrochloride
CID 170915600
2-[1-(2-methylsulfanylacetyl)azetidin-3-yl]acetic acid
CID 64603746

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid (CID 64604130) is 2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid is CCC(CC)C(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid?
The InChIKey is APJAKMGJVJWJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-9(4-2)11(15)12-6-8(7-12)5-10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid?
2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid has a molecular weight of 213.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64604130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).