2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]propanoic acid

C9H14ClNO2 — CID 116684092

IUPAC2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C/C=C/Cl)C1
InChIInChI=1S/C9H14ClNO2/c1-7(9(12)13)8-5-11(6-8)4-2-3-10/h2-3,7-8H,4-6H2,1H3,(H,12,13)/b3-2+
InChIKeyQFUQLHFLRIOWIO-NSCUHMNNSA-N
MW203.67 g/mol
LogP1.39
Rot. Bonds4

About 2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]propanoic acid

2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]propanoic acid (PubChem CID 116684092) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is 2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]propanoic acid
PubChem CID116684092
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C/C=C/Cl)C1
InChIInChI=1S/C9H14ClNO2/c1-7(9(12)13)8-5-11(6-8)4-2-3-10/h2-3,7-8H,4-6H2,1H3,(H,12,13)/b3-2+
InChIKeyQFUQLHFLRIOWIO-NSCUHMNNSA-N
XLogP1.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,3-dichloroprop-2-enyl)azetidin-3-yl]propanoic acid
CID 104892422
2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116684054
2-[1-(3-amino-3-oxopropyl)azetidin-3-yl]propanoic acid
CID 116684049
2-[1-(3,3-dimethylbutyl)azetidin-3-yl]propanoic acid
CID 116683997
3-(1-carboxyethyl)azetidine-1-carboxylic acid
CID 123935097
2-[1-(2-ethylsulfanylethyl)azetidin-3-yl]propanoic acid
CID 116684199
2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]azetidin-3-yl]propanoic acid
CID 116683943
2-[1-(1-adamantylmethyl)azetidin-3-yl]propanoic acid
CID 116684131
2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]propanoic acid
CID 116684337
2-[1-[2-(cyanomethylamino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116684074
(E)-5-chloro-2-methylpent-4-enoic acid
CID 107900872
2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116681625

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]propanoic acid (CID 116684092) is 2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C/C=C/Cl)C1.
What is the InChIKey of 2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]propanoic acid?
The InChIKey is QFUQLHFLRIOWIO-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H14ClNO2/c1-7(9(12)13)8-5-11(6-8)4-2-3-10/h2-3,7-8H,4-6H2,1H3,(H,12,13)/b3-2+.
What are the key properties of 2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]propanoic acid?
2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]propanoic acid has a molecular weight of 203.67 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116684092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).