2-(3-ethyl-4-oxo-1-phenylmethoxycarbonylazetidin-2-yl)oxyacetic acid

C15H17NO6 — CID 15934693

IUPAC2-(3-ethyl-4-oxo-1-phenylmethoxycarbonylazetidin-2-yl)oxyacetic acid
SMILESCCC1C(=O)N(C(=O)OCc2ccccc2)C1OCC(=O)O
InChIInChI=1S/C15H17NO6/c1-2-11-13(19)16(14(11)21-9-12(17)18)15(20)22-8-10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,17,18)
InChIKeyNGPZOFVVHCJQEZ-UHFFFAOYSA-N
MW307.30 g/mol
LogP1.62
Rot. Bonds6

About 2-(3-ethyl-4-oxo-1-phenylmethoxycarbonylazetidin-2-yl)oxyacetic acid

2-(3-ethyl-4-oxo-1-phenylmethoxycarbonylazetidin-2-yl)oxyacetic acid (PubChem CID 15934693) has the molecular formula C15H17NO6 and a molecular weight of 307.30 g/mol. Its IUPAC name is 2-(3-ethyl-4-oxo-1-phenylmethoxycarbonylazetidin-2-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(3-ethyl-4-oxo-1-phenylmethoxycarbonylazetidin-2-yl)oxyacetic acid
PubChem CID15934693
Molecular FormulaC15H17NO6
Molecular Weight307.30 g/mol
Exact Mass307.11
IUPAC Name2-(3-ethyl-4-oxo-1-phenylmethoxycarbonylazetidin-2-yl)oxyacetic acid
SMILESCCC1C(=O)N(C(=O)OCc2ccccc2)C1OCC(=O)O
InChIInChI=1S/C15H17NO6/c1-2-11-13(19)16(14(11)21-9-12(17)18)15(20)22-8-10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,17,18)
InChIKeyNGPZOFVVHCJQEZ-UHFFFAOYSA-N
XLogP1.62
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-oxo-1-phenylmethoxycarbonylazetidin-2-yl)oxyacetic acid?
The IUPAC name of 2-(3-ethyl-4-oxo-1-phenylmethoxycarbonylazetidin-2-yl)oxyacetic acid (CID 15934693) is 2-(3-ethyl-4-oxo-1-phenylmethoxycarbonylazetidin-2-yl)oxyacetic acid.
What is the SMILES notation for 2-(3-ethyl-4-oxo-1-phenylmethoxycarbonylazetidin-2-yl)oxyacetic acid?
The canonical SMILES for 2-(3-ethyl-4-oxo-1-phenylmethoxycarbonylazetidin-2-yl)oxyacetic acid is CCC1C(=O)N(C(=O)OCc2ccccc2)C1OCC(=O)O.
What is the InChIKey of 2-(3-ethyl-4-oxo-1-phenylmethoxycarbonylazetidin-2-yl)oxyacetic acid?
The InChIKey is NGPZOFVVHCJQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO6/c1-2-11-13(19)16(14(11)21-9-12(17)18)15(20)22-8-10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,17,18).
What are the key properties of 2-(3-ethyl-4-oxo-1-phenylmethoxycarbonylazetidin-2-yl)oxyacetic acid?
2-(3-ethyl-4-oxo-1-phenylmethoxycarbonylazetidin-2-yl)oxyacetic acid has a molecular weight of 307.30 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-oxo-1-phenylmethoxycarbonylazetidin-2-yl)oxyacetic acid is sourced from PubChem (CID 15934693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).