2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]azetidin-3-yl]propanoic acid

C11H18N2O3 — CID 116683943

IUPAC2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]azetidin-3-yl]propanoic acid
SMILESC=CCNC(=O)CN1CC(C(C)C(=O)O)C1
InChIInChI=1S/C11H18N2O3/c1-3-4-12-10(14)7-13-5-9(6-13)8(2)11(15)16/h3,8-9H,1,4-7H2,2H3,(H,12,14)(H,15,16)
InChIKeyDOIMXXJDJVRLJX-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.06
Rot. Bonds6

About 2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]azetidin-3-yl]propanoic acid

2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]azetidin-3-yl]propanoic acid (PubChem CID 116683943) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]azetidin-3-yl]propanoic acid
PubChem CID116683943
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]azetidin-3-yl]propanoic acid
SMILESC=CCNC(=O)CN1CC(C(C)C(=O)O)C1
InChIInChI=1S/C11H18N2O3/c1-3-4-12-10(14)7-13-5-9(6-13)8(2)11(15)16/h3,8-9H,1,4-7H2,2H3,(H,12,14)(H,15,16)
InChIKeyDOIMXXJDJVRLJX-UHFFFAOYSA-N
XLogP-0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]azetidin-3-yl]propanoic acid (CID 116683943) is 2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]azetidin-3-yl]propanoic acid is C=CCNC(=O)CN1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]azetidin-3-yl]propanoic acid?
The InChIKey is DOIMXXJDJVRLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-4-12-10(14)7-13-5-9(6-13)8(2)11(15)16/h3,8-9H,1,4-7H2,2H3,(H,12,14)(H,15,16).
What are the key properties of 2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]azetidin-3-yl]propanoic acid?
2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]azetidin-3-yl]propanoic acid has a molecular weight of 226.28 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116683943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).