2-(3-ethylazetidin-1-yl)-2-methylpropanoic acid

C9H17NO2 — CID 79695047

IUPAC2-(3-ethylazetidin-1-yl)-2-methylpropanoic acid
SMILESCCC1CN(C(C)(C)C(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-4-7-5-10(6-7)9(2,3)8(11)12/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyUWGDYBPPEGKCHT-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.19
Rot. Bonds3

About 2-(3-ethylazetidin-1-yl)-2-methylpropanoic acid

2-(3-ethylazetidin-1-yl)-2-methylpropanoic acid (PubChem CID 79695047) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(3-ethylazetidin-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3-ethylazetidin-1-yl)-2-methylpropanoic acid
PubChem CID79695047
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-(3-ethylazetidin-1-yl)-2-methylpropanoic acid
SMILESCCC1CN(C(C)(C)C(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-4-7-5-10(6-7)9(2,3)8(11)12/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyUWGDYBPPEGKCHT-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(3-propylazetidin-1-yl)propanoic acid
CID 79695153
2-(3-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropanoic acid
CID 21341206
1-(3-ethylazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 89150280
2-methyl-2-(3-propylazetidin-1-yl)butanoic acid
CID 79801474
2-(4-ethylcyclohexyl)-2-methylpropanoic acid
CID 79425343
3-(4-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821371
2-methyl-2-pyrrolidin-1-ylpropanoic acid
CID 22311931
2-methyl-2-[3-(methylaminomethyl)piperidin-1-yl]butanoic acid
CID 114988645
2-(3-tert-butylazetidin-1-yl)-2-methylbutanoic acid
CID 79801551
acetic acid;ethylcyclopropane
CID 175213909
4-(3-ethylazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79694621
2-[(3-ethylazetidin-1-yl)methyl]butanoic acid
CID 79694603

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylazetidin-1-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(3-ethylazetidin-1-yl)-2-methylpropanoic acid (CID 79695047) is 2-(3-ethylazetidin-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3-ethylazetidin-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(3-ethylazetidin-1-yl)-2-methylpropanoic acid is CCC1CN(C(C)(C)C(=O)O)C1.
What is the InChIKey of 2-(3-ethylazetidin-1-yl)-2-methylpropanoic acid?
The InChIKey is UWGDYBPPEGKCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-7-5-10(6-7)9(2,3)8(11)12/h7H,4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-(3-ethylazetidin-1-yl)-2-methylpropanoic acid?
2-(3-ethylazetidin-1-yl)-2-methylpropanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.19, 3 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)-2-methylpropanoic acid is sourced from PubChem (CID 79695047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).