2-(3-fluoro-1-propan-2-ylazetidin-3-yl)acetic acid

C8H14FNO2 — CID 134533991

IUPAC2-(3-fluoro-1-propan-2-ylazetidin-3-yl)acetic acid
SMILESCC(C)N1CC(F)(CC(=O)O)C1
InChIInChI=1S/C8H14FNO2/c1-6(2)10-4-8(9,5-10)3-7(11)12/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyMELXDLCUQMCTHX-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.89
Rot. Bonds3

About 2-(3-fluoro-1-propan-2-ylazetidin-3-yl)acetic acid

2-(3-fluoro-1-propan-2-ylazetidin-3-yl)acetic acid (PubChem CID 134533991) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 2-(3-fluoro-1-propan-2-ylazetidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-fluoro-1-propan-2-ylazetidin-3-yl)acetic acid
PubChem CID134533991
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name2-(3-fluoro-1-propan-2-ylazetidin-3-yl)acetic acid
SMILESCC(C)N1CC(F)(CC(=O)O)C1
InChIInChI=1S/C8H14FNO2/c1-6(2)10-4-8(9,5-10)3-7(11)12/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyMELXDLCUQMCTHX-UHFFFAOYSA-N
XLogP0.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Ethylazetidin-3-yl)acetic acid hydrochloride
CID 170915600
3-(3-Fluoroazetidin-1-yl)cyclobutane-1-carboxylic acid hydrochloride
CID 177800028
2-(1-Methylazetidin-3-yl)acetic acid
CID 58669481
3-Fluoro-1-propan-2-ylazetidine-2-carboxylic acid
CID 139341636
1-Tert-butyl-3-fluoroazetidine-2-carboxylic acid
CID 139341840
1-Ethyl-3-fluoroazetidine-2-carboxylic acid
CID 155049748
2-(1-Methylazetidin-3-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 155163074
2-(1-Tert-butyl-3-fluoroazetidin-3-yl)acetic acid
CID 162475432
2-[1-(3,3,3-Trifluoropropyl)azetidin-3-yl]acetic acid
CID 64617934
2-[1-(2,2,2-Trifluoroethyl)azetidin-3-yl]acetic acid
CID 64618711
2-[1-(2,2-Difluoroethyl)azetidin-3-yl]acetic acid
CID 64619094
4-[2-Fluoroethyl(propan-2-yl)amino]butanoic acid
CID 80693665

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-1-propan-2-ylazetidin-3-yl)acetic acid?
The IUPAC name of 2-(3-fluoro-1-propan-2-ylazetidin-3-yl)acetic acid (CID 134533991) is 2-(3-fluoro-1-propan-2-ylazetidin-3-yl)acetic acid.
What is the SMILES notation for 2-(3-fluoro-1-propan-2-ylazetidin-3-yl)acetic acid?
The canonical SMILES for 2-(3-fluoro-1-propan-2-ylazetidin-3-yl)acetic acid is CC(C)N1CC(F)(CC(=O)O)C1.
What is the InChIKey of 2-(3-fluoro-1-propan-2-ylazetidin-3-yl)acetic acid?
The InChIKey is MELXDLCUQMCTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-6(2)10-4-8(9,5-10)3-7(11)12/h6H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-(3-fluoro-1-propan-2-ylazetidin-3-yl)acetic acid?
2-(3-fluoro-1-propan-2-ylazetidin-3-yl)acetic acid has a molecular weight of 175.20 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-1-propan-2-ylazetidin-3-yl)acetic acid is sourced from PubChem (CID 134533991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).