2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid

C14H17NO5 — CID 120691080

IUPAC2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid
SMILESCN(C(=O)c1cccc(OCC(=O)O)c1)C1CCOC1
InChIInChI=1S/C14H17NO5/c1-15(11-5-6-19-8-11)14(18)10-3-2-4-12(7-10)20-9-13(16)17/h2-4,7,11H,5-6,8-9H2,1H3,(H,16,17)
InChIKeyJLIIKVKHYTTXTH-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.01
Rot. Bonds5

About 2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid

2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid (PubChem CID 120691080) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid
PubChem CID120691080
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid
SMILESCN(C(=O)c1cccc(OCC(=O)O)c1)C1CCOC1
InChIInChI=1S/C14H17NO5/c1-15(11-5-6-19-8-11)14(18)10-3-2-4-12(7-10)20-9-13(16)17/h2-4,7,11H,5-6,8-9H2,1H3,(H,16,17)
InChIKeyJLIIKVKHYTTXTH-UHFFFAOYSA-N
XLogP1.01
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[ethyl(oxan-3-yl)carbamoyl]phenoxy]acetic acid
CID 154741966
2-[3-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]phenoxy]acetic acid
CID 119187152
3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 42393600
2-[3-[cyclopropyl(2,2-difluoroethyl)carbamoyl]phenoxy]acetic acid
CID 119184539
3-(3-aminoprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
CID 82748470
2-[3-[cyclohexyl(cyclopropylmethyl)carbamoyl]phenoxy]acetic acid
CID 119183937
3-ethoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 119443526
3-[2-[methyl(oxolan-3-yl)amino]ethoxy]benzenecarbothioamide
CID 82737714
4-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947766
N-methyl-N-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104615220
4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 82737848
2-[3-[(3-butoxy-2,2-dimethylcyclobutyl)-methylcarbamoyl]phenoxy]acetic acid
CID 119187218

Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid (CID 120691080) is 2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid is CN(C(=O)c1cccc(OCC(=O)O)c1)C1CCOC1.
What is the InChIKey of 2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid?
The InChIKey is JLIIKVKHYTTXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-15(11-5-6-19-8-11)14(18)10-3-2-4-12(7-10)20-9-13(16)17/h2-4,7,11H,5-6,8-9H2,1H3,(H,16,17).
What are the key properties of 2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid?
2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid has a molecular weight of 279.29 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 120691080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).