5-acetamido-2-(oxolane-2-carbonylamino)benzoic acid

C14H16N2O5 — CID 18071014

IUPAC5-acetamido-2-(oxolane-2-carbonylamino)benzoic acid
SMILESCC(=O)Nc1ccc(NC(=O)C2CCCO2)c(C(=O)O)c1
InChIInChI=1S/C14H16N2O5/c1-8(17)15-9-4-5-11(10(7-9)14(19)20)16-13(18)12-3-2-6-21-12/h4-5,7,12H,2-3,6H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyPCQUOHZTLUTOQN-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.46
Rot. Bonds4

About 5-acetamido-2-(oxolane-2-carbonylamino)benzoic acid

5-acetamido-2-(oxolane-2-carbonylamino)benzoic acid (PubChem CID 18071014) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 5-acetamido-2-(oxolane-2-carbonylamino)benzoic acid.

Molecular Properties

Compound Name5-acetamido-2-(oxolane-2-carbonylamino)benzoic acid
PubChem CID18071014
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name5-acetamido-2-(oxolane-2-carbonylamino)benzoic acid
SMILESCC(=O)Nc1ccc(NC(=O)C2CCCO2)c(C(=O)O)c1
InChIInChI=1S/C14H16N2O5/c1-8(17)15-9-4-5-11(10(7-9)14(19)20)16-13(18)12-3-2-6-21-12/h4-5,7,12H,2-3,6H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyPCQUOHZTLUTOQN-UHFFFAOYSA-N
XLogP1.46
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(oxolane-2-carbonylamino)benzoic acid
CID 63652254
2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 7268809
2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855634
2-[[(2R)-oxolane-2-carbonyl]amino]-5-(trifluoromethyl)benzoic acid
CID 104855806
N-(2-acetyl-4-bromophenyl)oxolane-2-carboxamide
CID 75503576
2-hydroxy-4-(oxolane-2-carbonylamino)benzoic acid
CID 16775215
2-chloro-4-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 113462421
3-methyl-4-(oxolane-2-carbonylamino)benzoic acid
CID 16774236
2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 7248012
(2R)-N-[2-(phenylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 7347410
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 42906730

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-(oxolane-2-carbonylamino)benzoic acid?
The IUPAC name of 5-acetamido-2-(oxolane-2-carbonylamino)benzoic acid (CID 18071014) is 5-acetamido-2-(oxolane-2-carbonylamino)benzoic acid.
What is the SMILES notation for 5-acetamido-2-(oxolane-2-carbonylamino)benzoic acid?
The canonical SMILES for 5-acetamido-2-(oxolane-2-carbonylamino)benzoic acid is CC(=O)Nc1ccc(NC(=O)C2CCCO2)c(C(=O)O)c1.
What is the InChIKey of 5-acetamido-2-(oxolane-2-carbonylamino)benzoic acid?
The InChIKey is PCQUOHZTLUTOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-8(17)15-9-4-5-11(10(7-9)14(19)20)16-13(18)12-3-2-6-21-12/h4-5,7,12H,2-3,6H2,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 5-acetamido-2-(oxolane-2-carbonylamino)benzoic acid?
5-acetamido-2-(oxolane-2-carbonylamino)benzoic acid has a molecular weight of 292.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-(oxolane-2-carbonylamino)benzoic acid is sourced from PubChem (CID 18071014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).