2-[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]acetic acid

C15H19NO4 — CID 119351700

IUPAC2-[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)CC2CCOCC2)c1
InChIInChI=1S/C15H19NO4/c17-14(9-11-4-6-20-7-5-11)16-13-3-1-2-12(8-13)10-15(18)19/h1-3,8,11H,4-7,9-10H2,(H,16,17)(H,18,19)
InChIKeyJXHDCWLBWREULC-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.07
Rot. Bonds5

About 2-[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]acetic acid

2-[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]acetic acid (PubChem CID 119351700) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]acetic acid
PubChem CID119351700
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(NC(=O)CC2CCOCC2)c1
InChIInChI=1S/C15H19NO4/c17-14(9-11-4-6-20-7-5-11)16-13-3-1-2-12(8-13)10-15(18)19/h1-3,8,11H,4-7,9-10H2,(H,16,17)(H,18,19)
InChIKeyJXHDCWLBWREULC-UHFFFAOYSA-N
XLogP2.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-4-yl)-N-phenylacetamide
CID 110856528
2-[3-[[2-(3-methylcyclohexyl)acetyl]amino]phenyl]acetic acid
CID 119351587
N-(3-acetylphenyl)-2-(oxan-4-yl)acetamide
CID 110861044
2-[3-[[methyl(oxan-4-yl)carbamoyl]amino]phenyl]acetic acid
CID 65345726
2-cyano-N-[3-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetamide
CID 108924219
[3-[[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108929308
2-[4-[[[2-(oxan-4-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 167929677
N-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide
CID 114307300
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 86961784
2-[3-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]acetic acid
CID 79854322
2-[3-(3-phenylpropanoylamino)phenyl]acetic acid
CID 28759486
2-cyclopropyl-N-phenylacetamide
CID 60753326

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]acetic acid (CID 119351700) is 2-[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]acetic acid is O=C(O)Cc1cccc(NC(=O)CC2CCOCC2)c1.
What is the InChIKey of 2-[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]acetic acid?
The InChIKey is JXHDCWLBWREULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-14(9-11-4-6-20-7-5-11)16-13-3-1-2-12(8-13)10-15(18)19/h1-3,8,11H,4-7,9-10H2,(H,16,17)(H,18,19).
What are the key properties of 2-[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]acetic acid?
2-[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(oxan-4-yl)acetyl]amino]phenyl]acetic acid is sourced from PubChem (CID 119351700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).