2-[N-(bicyclo[2.2.1]heptane-2-carbonyl)-4-hydroxyanilino]acetic acid

C16H19NO4 — CID 60831127

IUPAC2-[N-(bicyclo[2.2.1]heptane-2-carbonyl)-4-hydroxyanilino]acetic acid
SMILESO=C(O)CN(C(=O)C1CC2CCC1C2)c1ccc(O)cc1
InChIInChI=1S/C16H19NO4/c18-13-5-3-12(4-6-13)17(9-15(19)20)16(21)14-8-10-1-2-11(14)7-10/h3-6,10-11,14,18H,1-2,7-9H2,(H,19,20)
InChIKeyDSXBYJGSGKILEI-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.25
Rot. Bonds4

About 2-[N-(bicyclo[2.2.1]heptane-2-carbonyl)-4-hydroxyanilino]acetic acid

2-[N-(bicyclo[2.2.1]heptane-2-carbonyl)-4-hydroxyanilino]acetic acid (PubChem CID 60831127) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[N-(bicyclo[2.2.1]heptane-2-carbonyl)-4-hydroxyanilino]acetic acid.

Molecular Properties

Compound Name2-[N-(bicyclo[2.2.1]heptane-2-carbonyl)-4-hydroxyanilino]acetic acid
PubChem CID60831127
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-[N-(bicyclo[2.2.1]heptane-2-carbonyl)-4-hydroxyanilino]acetic acid
SMILESO=C(O)CN(C(=O)C1CC2CCC1C2)c1ccc(O)cc1
InChIInChI=1S/C16H19NO4/c18-13-5-3-12(4-6-13)17(9-15(19)20)16(21)14-8-10-1-2-11(14)7-10/h3-6,10-11,14,18H,1-2,7-9H2,(H,19,20)
InChIKeyDSXBYJGSGKILEI-UHFFFAOYSA-N
XLogP2.25
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-phenylbicyclo[2.2.1]heptane-2-carboxamide
CID 75853875
N-(3-amino-3-sulfanylidenepropyl)-N-phenylbicyclo[2.2.1]heptane-2-carboxamide
CID 61365927
2-(N-carboxy-4-hydroxyanilino)acetic acid
CID 66615587
2-(N-[cyclopropyl(ethyl)carbamoyl]-4-hydroxyanilino)acetic acid
CID 61194308
2-(N-(2-cyclohexylacetyl)-4-hydroxyanilino)acetic acid
CID 60830957
2-(N-[(1S,2R)-2-sulfanylcyclohexanecarbonyl]anilino)acetic acid
CID 20642356
N-(3-aminophenyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide
CID 63229707
2-[4-chloro-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 62586659
2-[N-(cyclopropanecarbonyl)-4-fluoroanilino]acetic acid
CID 28765585
2-(4-hydroxy-N-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]anilino)acetic acid
CID 63860770
2-(N-(3-aminopiperidine-1-carbonyl)-4-hydroxyanilino)acetic acid
CID 61403610
2-[4-hydroxy-N-(piperidin-4-ylcarbamoyl)anilino]acetic acid
CID 61402704

Frequently Asked Questions

What is the IUPAC name of 2-[N-(bicyclo[2.2.1]heptane-2-carbonyl)-4-hydroxyanilino]acetic acid?
The IUPAC name of 2-[N-(bicyclo[2.2.1]heptane-2-carbonyl)-4-hydroxyanilino]acetic acid (CID 60831127) is 2-[N-(bicyclo[2.2.1]heptane-2-carbonyl)-4-hydroxyanilino]acetic acid.
What is the SMILES notation for 2-[N-(bicyclo[2.2.1]heptane-2-carbonyl)-4-hydroxyanilino]acetic acid?
The canonical SMILES for 2-[N-(bicyclo[2.2.1]heptane-2-carbonyl)-4-hydroxyanilino]acetic acid is O=C(O)CN(C(=O)C1CC2CCC1C2)c1ccc(O)cc1.
What is the InChIKey of 2-[N-(bicyclo[2.2.1]heptane-2-carbonyl)-4-hydroxyanilino]acetic acid?
The InChIKey is DSXBYJGSGKILEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c18-13-5-3-12(4-6-13)17(9-15(19)20)16(21)14-8-10-1-2-11(14)7-10/h3-6,10-11,14,18H,1-2,7-9H2,(H,19,20).
What are the key properties of 2-[N-(bicyclo[2.2.1]heptane-2-carbonyl)-4-hydroxyanilino]acetic acid?
2-[N-(bicyclo[2.2.1]heptane-2-carbonyl)-4-hydroxyanilino]acetic acid has a molecular weight of 289.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(bicyclo[2.2.1]heptane-2-carbonyl)-4-hydroxyanilino]acetic acid is sourced from PubChem (CID 60831127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).