2-[1-(2-chloro-5-hydroxybenzoyl)azetidin-3-yl]propanoic acid

C13H14ClNO4 — CID 106500416

IUPAC2-[1-(2-chloro-5-hydroxybenzoyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)c2cc(O)ccc2Cl)C1
InChIInChI=1S/C13H14ClNO4/c1-7(13(18)19)8-5-15(6-8)12(17)10-4-9(16)2-3-11(10)14/h2-4,7-8,16H,5-6H2,1H3,(H,18,19)
InChIKeyMLWOYEHRKYWXMJ-UHFFFAOYSA-N
MW283.71 g/mol
LogP1.84
Rot. Bonds3

About 2-[1-(2-chloro-5-hydroxybenzoyl)azetidin-3-yl]propanoic acid

2-[1-(2-chloro-5-hydroxybenzoyl)azetidin-3-yl]propanoic acid (PubChem CID 106500416) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is 2-[1-(2-chloro-5-hydroxybenzoyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(2-chloro-5-hydroxybenzoyl)azetidin-3-yl]propanoic acid
PubChem CID106500416
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name2-[1-(2-chloro-5-hydroxybenzoyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)c2cc(O)ccc2Cl)C1
InChIInChI=1S/C13H14ClNO4/c1-7(13(18)19)8-5-15(6-8)12(17)10-4-9(16)2-3-11(10)14/h2-4,7-8,16H,5-6H2,1H3,(H,18,19)
InChIKeyMLWOYEHRKYWXMJ-UHFFFAOYSA-N
XLogP1.84
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2-chloro-5-hydroxybenzoyl)azetidin-3-yl]propanoic 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-(5-chloro-2-hydroxybenzoyl)azetidin-3-yl]propanoic acid
CID 116680916
(2-chloro-5-hydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 106502455
[4-(1-aminoethyl)piperidin-1-yl]-(2-chloro-5-hydroxyphenyl)methanone
CID 106502596
2-[1-(5-bromo-2-hydroxybenzoyl)azetidin-3-yl]propanoic acid
CID 107729488
(2-chloro-5-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 106501471
2-[1-(2-methylbenzoyl)azetidin-3-yl]propanoic acid
CID 116681215
2-[1-(4-chloro-2-nitrobenzoyl)azetidin-3-yl]propanoic acid
CID 116681149
2-[1-(3,5-dibromobenzoyl)azetidin-3-yl]propanoic acid
CID 114022552
(2-chloro-5-hydroxyphenyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106502209
1-(2-chloro-5-hydroxybenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 106500274
2-[1-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]azetidin-3-yl]propanoic acid
CID 116681222
(4-amino-3-ethylpiperidin-1-yl)-(2-chloro-5-hydroxyphenyl)methanone
CID 106499980

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-5-hydroxybenzoyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(2-chloro-5-hydroxybenzoyl)azetidin-3-yl]propanoic acid (CID 106500416) is 2-[1-(2-chloro-5-hydroxybenzoyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(2-chloro-5-hydroxybenzoyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(2-chloro-5-hydroxybenzoyl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)c2cc(O)ccc2Cl)C1.
What is the InChIKey of 2-[1-(2-chloro-5-hydroxybenzoyl)azetidin-3-yl]propanoic acid?
The InChIKey is MLWOYEHRKYWXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4/c1-7(13(18)19)8-5-15(6-8)12(17)10-4-9(16)2-3-11(10)14/h2-4,7-8,16H,5-6H2,1H3,(H,18,19).
What are the key properties of 2-[1-(2-chloro-5-hydroxybenzoyl)azetidin-3-yl]propanoic acid?
2-[1-(2-chloro-5-hydroxybenzoyl)azetidin-3-yl]propanoic acid has a molecular weight of 283.71 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-5-hydroxybenzoyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 106500416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).