4-(3-propan-2-ylazetidin-1-yl)butanoic acid

C10H19NO2 — CID 79687036

IUPAC4-(3-propan-2-ylazetidin-1-yl)butanoic acid
SMILESCC(C)C1CN(CCCC(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-8(2)9-6-11(7-9)5-3-4-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyOZIGEAQEYYPICB-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.44
Rot. Bonds5

About 4-(3-propan-2-ylazetidin-1-yl)butanoic acid

4-(3-propan-2-ylazetidin-1-yl)butanoic acid (PubChem CID 79687036) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(3-propan-2-ylazetidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-propan-2-ylazetidin-1-yl)butanoic acid
PubChem CID79687036
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-(3-propan-2-ylazetidin-1-yl)butanoic acid
SMILESCC(C)C1CN(CCCC(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-8(2)9-6-11(7-9)5-3-4-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyOZIGEAQEYYPICB-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

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Related Compounds

5-methyl-4-[2-(3-propan-2-ylazetidin-1-yl)ethyl]hexanoic acid
CID 79695212
4-(3-propan-2-ylazetidin-1-yl)butan-1-ol
CID 106844128
4-ethyl-6-(3-propan-2-ylazetidin-1-yl)hexanoic acid
CID 79694270
4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid
CID 106670158
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butanoic acid
CID 27351748
4-[(2S)-2-propan-2-ylthiomorpholin-4-yl]butanoic acid
CID 124607987
5-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pentanoic acid
CID 163404210
1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 167479469
N-methyl-3-(3-propan-2-ylazetidin-1-yl)propan-1-amine
CID 79678218
2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one
CID 155706991
3-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]propanoic acid
CID 83996752
4-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoic acid
CID 119139664

Frequently Asked Questions

What is the IUPAC name of 4-(3-propan-2-ylazetidin-1-yl)butanoic acid?
The IUPAC name of 4-(3-propan-2-ylazetidin-1-yl)butanoic acid (CID 79687036) is 4-(3-propan-2-ylazetidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(3-propan-2-ylazetidin-1-yl)butanoic acid?
The canonical SMILES for 4-(3-propan-2-ylazetidin-1-yl)butanoic acid is CC(C)C1CN(CCCC(=O)O)C1.
What is the InChIKey of 4-(3-propan-2-ylazetidin-1-yl)butanoic acid?
The InChIKey is OZIGEAQEYYPICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)9-6-11(7-9)5-3-4-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 4-(3-propan-2-ylazetidin-1-yl)butanoic acid?
4-(3-propan-2-ylazetidin-1-yl)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 4-(3-propan-2-ylazetidin-1-yl)butanoic acid is sourced from PubChem (CID 79687036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).