2-[3-[(4-cyanooxane-4-carbonyl)amino]phenoxy]acetic acid

C15H16N2O5 — CID 119224839

IUPAC2-[3-[(4-cyanooxane-4-carbonyl)amino]phenoxy]acetic acid
SMILESN#CC1(C(=O)Nc2cccc(OCC(=O)O)c2)CCOCC1
InChIInChI=1S/C15H16N2O5/c16-10-15(4-6-21-7-5-15)14(20)17-11-2-1-3-12(8-11)22-9-13(18)19/h1-3,8H,4-7,9H2,(H,17,20)(H,18,19)
InChIKeyKOGVMOKHGMBPAR-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.41
Rot. Bonds5

About 2-[3-[(4-cyanooxane-4-carbonyl)amino]phenoxy]acetic acid

2-[3-[(4-cyanooxane-4-carbonyl)amino]phenoxy]acetic acid (PubChem CID 119224839) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-[3-[(4-cyanooxane-4-carbonyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-cyanooxane-4-carbonyl)amino]phenoxy]acetic acid
PubChem CID119224839
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name2-[3-[(4-cyanooxane-4-carbonyl)amino]phenoxy]acetic acid
SMILESN#CC1(C(=O)Nc2cccc(OCC(=O)O)c2)CCOCC1
InChIInChI=1S/C15H16N2O5/c16-10-15(4-6-21-7-5-15)14(20)17-11-2-1-3-12(8-11)22-9-13(18)19/h1-3,8H,4-7,9H2,(H,17,20)(H,18,19)
InChIKeyKOGVMOKHGMBPAR-UHFFFAOYSA-N
XLogP1.41
TPSA108.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[3-(cyanomethoxy)phenyl]oxane-4-carboxamide
CID 115293964
2-[3-[(1-aminocyclobutanecarbonyl)amino]phenoxy]acetic acid
CID 81169639
2-[3-(morpholine-4-carbonylamino)phenoxy]acetic acid
CID 61187144
2-[3-(cyanoamino)phenoxy]acetic acid
CID 164649245
2-[3-[(2,2-difluoro-1-methylcyclopropanecarbonyl)amino]phenoxy]acetic acid
CID 122107685
1-cyano-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 31841999
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845
3-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]oxolane-3-carboxamide
CID 64891125
1-cyano-N-[3-(morpholin-4-ylmethyl)phenyl]cyclopentane-1-carboxamide
CID 51096615
2-[3-[(3-methylfuran-2-carbonyl)amino]phenoxy]acetic acid
CID 61058593
2-[3-[(1-methyl-3,4-dihydro-2H-naphthalene-1-carbonyl)amino]phenoxy]acetic acid
CID 119224830
2-[3-[(4-methylsulfanyloxan-4-yl)methylcarbamoyl]phenoxy]acetic acid
CID 119186761

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-cyanooxane-4-carbonyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(4-cyanooxane-4-carbonyl)amino]phenoxy]acetic acid (CID 119224839) is 2-[3-[(4-cyanooxane-4-carbonyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(4-cyanooxane-4-carbonyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(4-cyanooxane-4-carbonyl)amino]phenoxy]acetic acid is N#CC1(C(=O)Nc2cccc(OCC(=O)O)c2)CCOCC1.
What is the InChIKey of 2-[3-[(4-cyanooxane-4-carbonyl)amino]phenoxy]acetic acid?
The InChIKey is KOGVMOKHGMBPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c16-10-15(4-6-21-7-5-15)14(20)17-11-2-1-3-12(8-11)22-9-13(18)19/h1-3,8H,4-7,9H2,(H,17,20)(H,18,19).
What are the key properties of 2-[3-[(4-cyanooxane-4-carbonyl)amino]phenoxy]acetic acid?
2-[3-[(4-cyanooxane-4-carbonyl)amino]phenoxy]acetic acid has a molecular weight of 304.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-cyanooxane-4-carbonyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 119224839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).