2-[2-[2-methoxy-2-oxo-1-(prop-1-en-2-ylamino)ethyl]phenyl]acetic acid

C14H17NO4 — CID 20564714

IUPAC2-[2-[2-methoxy-2-oxo-1-(prop-1-en-2-ylamino)ethyl]phenyl]acetic acid
SMILESC=C(C)NC(C(=O)OC)c1ccccc1CC(=O)O
InChIInChI=1S/C14H17NO4/c1-9(2)15-13(14(18)19-3)11-7-5-4-6-10(11)8-12(16)17/h4-7,13,15H,1,8H2,2-3H3,(H,16,17)
InChIKeyAGLYJDDNOSIOAK-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.65
Rot. Bonds6

About 2-[2-[2-methoxy-2-oxo-1-(prop-1-en-2-ylamino)ethyl]phenyl]acetic acid

2-[2-[2-methoxy-2-oxo-1-(prop-1-en-2-ylamino)ethyl]phenyl]acetic acid (PubChem CID 20564714) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[2-[2-methoxy-2-oxo-1-(prop-1-en-2-ylamino)ethyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-methoxy-2-oxo-1-(prop-1-en-2-ylamino)ethyl]phenyl]acetic acid
PubChem CID20564714
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[2-[2-methoxy-2-oxo-1-(prop-1-en-2-ylamino)ethyl]phenyl]acetic acid
SMILESC=C(C)NC(C(=O)OC)c1ccccc1CC(=O)O
InChIInChI=1S/C14H17NO4/c1-9(2)15-13(14(18)19-3)11-7-5-4-6-10(11)8-12(16)17/h4-7,13,15H,1,8H2,2-3H3,(H,16,17)
InChIKeyAGLYJDDNOSIOAK-UHFFFAOYSA-N
XLogP1.65
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methoxy-2-oxo-1-(prop-1-en-2-ylamino)ethyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[2-methoxy-2-oxo-1-(prop-1-en-2-ylamino)ethyl]phenyl]acetic acid (CID 20564714) is 2-[2-[2-methoxy-2-oxo-1-(prop-1-en-2-ylamino)ethyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[2-methoxy-2-oxo-1-(prop-1-en-2-ylamino)ethyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[2-methoxy-2-oxo-1-(prop-1-en-2-ylamino)ethyl]phenyl]acetic acid is C=C(C)NC(C(=O)OC)c1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[2-methoxy-2-oxo-1-(prop-1-en-2-ylamino)ethyl]phenyl]acetic acid?
The InChIKey is AGLYJDDNOSIOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9(2)15-13(14(18)19-3)11-7-5-4-6-10(11)8-12(16)17/h4-7,13,15H,1,8H2,2-3H3,(H,16,17).
What are the key properties of 2-[2-[2-methoxy-2-oxo-1-(prop-1-en-2-ylamino)ethyl]phenyl]acetic acid?
2-[2-[2-methoxy-2-oxo-1-(prop-1-en-2-ylamino)ethyl]phenyl]acetic acid has a molecular weight of 263.29 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-methoxy-2-oxo-1-(prop-1-en-2-ylamino)ethyl]phenyl]acetic acid is sourced from PubChem (CID 20564714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).