3-fluoro-1-propan-2-ylazetidine-2-carboxylic acid

C7H12FNO2 — CID 139341636

IUPAC3-fluoro-1-propan-2-ylazetidine-2-carboxylic acid
SMILESCC(C)N1CC(F)C1C(=O)O
InChIInChI=1S/C7H12FNO2/c1-4(2)9-3-5(8)6(9)7(10)11/h4-6H,3H2,1-2H3,(H,10,11)
InChIKeyBCJOTRXHOOOJPU-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.50
Rot. Bonds2

About 3-fluoro-1-propan-2-ylazetidine-2-carboxylic acid

3-fluoro-1-propan-2-ylazetidine-2-carboxylic acid (PubChem CID 139341636) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 3-fluoro-1-propan-2-ylazetidine-2-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-1-propan-2-ylazetidine-2-carboxylic acid
PubChem CID139341636
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name3-fluoro-1-propan-2-ylazetidine-2-carboxylic acid
SMILESCC(C)N1CC(F)C1C(=O)O
InChIInChI=1S/C7H12FNO2/c1-4(2)9-3-5(8)6(9)7(10)11/h4-6H,3H2,1-2H3,(H,10,11)
InChIKeyBCJOTRXHOOOJPU-UHFFFAOYSA-N
XLogP0.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-1-propan-2-ylazetidine-2-carboxylic 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

1-Tert-butylazetidine-2-carboxylic acid
CID 296717
Medicanine
CID 101409750
1-(Propan-2-yl)azetidine-2-carboxylic acid
CID 282400
1-(2,2,2-Trifluoroacetyl)azetidine-2-carboxylic acid
CID 10313535
(2R)-1-(Trifluoroacetyl)azetidine-2-carboxylic acid
CID 45080923
(2S)-1-(Trifluoroacetyl)azetidine-2-carboxylic acid
CID 45080924
(2R)-1-methylazetidine-2-carboxylic acid
CID 53793599
(2R)-1-propylazetidine-2-carboxylic acid
CID 54144027
(2R)-1-(propan-2-yl)azetidine-2-carboxylic acid
CID 54252462
2-Azetidinecarboxylic acid, 1-(3-hydroxypropyl)-, (2S)-
CID 131231389
1-acetylazetidine-2-carboxylic Acid
CID 10154107
2-(Azetidin-1-yl)propanoic acid
CID 54349985

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-propan-2-ylazetidine-2-carboxylic acid?
The IUPAC name of 3-fluoro-1-propan-2-ylazetidine-2-carboxylic acid (CID 139341636) is 3-fluoro-1-propan-2-ylazetidine-2-carboxylic acid.
What is the SMILES notation for 3-fluoro-1-propan-2-ylazetidine-2-carboxylic acid?
The canonical SMILES for 3-fluoro-1-propan-2-ylazetidine-2-carboxylic acid is CC(C)N1CC(F)C1C(=O)O.
What is the InChIKey of 3-fluoro-1-propan-2-ylazetidine-2-carboxylic acid?
The InChIKey is BCJOTRXHOOOJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c1-4(2)9-3-5(8)6(9)7(10)11/h4-6H,3H2,1-2H3,(H,10,11).
What are the key properties of 3-fluoro-1-propan-2-ylazetidine-2-carboxylic acid?
3-fluoro-1-propan-2-ylazetidine-2-carboxylic acid has a molecular weight of 161.18 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-propan-2-ylazetidine-2-carboxylic acid is sourced from PubChem (CID 139341636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).