2-(6-carbamoyl-1,3-dihydroxycyclohexa-2,4-dien-1-yl)benzoic acid

C14H13NO5 — CID 68743688

IUPAC2-(6-carbamoyl-1,3-dihydroxycyclohexa-2,4-dien-1-yl)benzoic acid
SMILESNC(=O)C1C=CC(O)=CC1(O)c1ccccc1C(=O)O
InChIInChI=1S/C14H13NO5/c15-12(17)11-6-5-8(16)7-14(11,20)10-4-2-1-3-9(10)13(18)19/h1-7,11,16,20H,(H2,15,17)(H,18,19)
InChIKeyOQFRHSWZACHSRY-UHFFFAOYSA-N
MW275.26 g/mol
LogP0.69
Rot. Bonds3

About 2-(6-carbamoyl-1,3-dihydroxycyclohexa-2,4-dien-1-yl)benzoic acid

2-(6-carbamoyl-1,3-dihydroxycyclohexa-2,4-dien-1-yl)benzoic acid (PubChem CID 68743688) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-(6-carbamoyl-1,3-dihydroxycyclohexa-2,4-dien-1-yl)benzoic acid.

Molecular Properties

Compound Name2-(6-carbamoyl-1,3-dihydroxycyclohexa-2,4-dien-1-yl)benzoic acid
PubChem CID68743688
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name2-(6-carbamoyl-1,3-dihydroxycyclohexa-2,4-dien-1-yl)benzoic acid
SMILESNC(=O)C1C=CC(O)=CC1(O)c1ccccc1C(=O)O
InChIInChI=1S/C14H13NO5/c15-12(17)11-6-5-8(16)7-14(11,20)10-4-2-1-3-9(10)13(18)19/h1-7,11,16,20H,(H2,15,17)(H,18,19)
InChIKeyOQFRHSWZACHSRY-UHFFFAOYSA-N
XLogP0.69
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-carbamoyl-1,3-dihydroxycyclohexa-2,4-dien-1-yl)benzoic acid?
The IUPAC name of 2-(6-carbamoyl-1,3-dihydroxycyclohexa-2,4-dien-1-yl)benzoic acid (CID 68743688) is 2-(6-carbamoyl-1,3-dihydroxycyclohexa-2,4-dien-1-yl)benzoic acid.
What is the SMILES notation for 2-(6-carbamoyl-1,3-dihydroxycyclohexa-2,4-dien-1-yl)benzoic acid?
The canonical SMILES for 2-(6-carbamoyl-1,3-dihydroxycyclohexa-2,4-dien-1-yl)benzoic acid is NC(=O)C1C=CC(O)=CC1(O)c1ccccc1C(=O)O.
What is the InChIKey of 2-(6-carbamoyl-1,3-dihydroxycyclohexa-2,4-dien-1-yl)benzoic acid?
The InChIKey is OQFRHSWZACHSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c15-12(17)11-6-5-8(16)7-14(11,20)10-4-2-1-3-9(10)13(18)19/h1-7,11,16,20H,(H2,15,17)(H,18,19).
What are the key properties of 2-(6-carbamoyl-1,3-dihydroxycyclohexa-2,4-dien-1-yl)benzoic acid?
2-(6-carbamoyl-1,3-dihydroxycyclohexa-2,4-dien-1-yl)benzoic acid has a molecular weight of 275.26 g/mol, XLogP of 0.69, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-carbamoyl-1,3-dihydroxycyclohexa-2,4-dien-1-yl)benzoic acid is sourced from PubChem (CID 68743688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).