2-[(2,2-dimethyloxan-4-yl)carbamoylamino]benzoic acid

C15H20N2O4 — CID 83034494

IUPAC2-[(2,2-dimethyloxan-4-yl)carbamoylamino]benzoic acid
SMILESCC1(C)CC(NC(=O)Nc2ccccc2C(=O)O)CCO1
InChIInChI=1S/C15H20N2O4/c1-15(2)9-10(7-8-21-15)16-14(20)17-12-6-4-3-5-11(12)13(18)19/h3-6,10H,7-9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyUJHZFEGLZNTJTC-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.46
Rot. Bonds3

About 2-[(2,2-dimethyloxan-4-yl)carbamoylamino]benzoic acid

2-[(2,2-dimethyloxan-4-yl)carbamoylamino]benzoic acid (PubChem CID 83034494) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[(2,2-dimethyloxan-4-yl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-[(2,2-dimethyloxan-4-yl)carbamoylamino]benzoic acid
PubChem CID83034494
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[(2,2-dimethyloxan-4-yl)carbamoylamino]benzoic acid
SMILESCC1(C)CC(NC(=O)Nc2ccccc2C(=O)O)CCO1
InChIInChI=1S/C15H20N2O4/c1-15(2)9-10(7-8-21-15)16-14(20)17-12-6-4-3-5-11(12)13(18)19/h3-6,10H,7-9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyUJHZFEGLZNTJTC-UHFFFAOYSA-N
XLogP2.46
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
CID 113467363
1-(2,2-dimethyloxan-4-yl)-3-(4-fluorophenyl)urea
CID 3688648
1-(5-acetyl-2-methylphenyl)-3-(2,2-dimethyloxan-4-yl)urea
CID 143698513
2-amino-N-(2,2-dimethyloxan-4-yl)-4-phenylbutanamide
CID 114929283
1-(2,2-dimethyloxan-4-yl)-3-(6-methyl-2-pyridinyl)urea
CID 75507988
N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide
CID 115563696
2-(2-aminoethyl)-N-(2,2-dimethyloxan-4-yl)benzamide
CID 83033529
3-amino-2-[(2,2-dimethyloxan-4-yl)amino]benzoic acid
CID 112579411
2-[(2,2-dimethylcyclohexyl)carbamoylamino]benzoic acid
CID 79870220
2-[2-(aminomethyl)phenyl]-N-(2,2-dimethyloxan-4-yl)acetamide
CID 83028620
2-[(6-oxopiperidin-3-yl)carbamoylamino]benzoic acid
CID 63661272
1-[3-(aminomethyl)phenyl]-3-(2,2-dimethyloxan-4-yl)urea
CID 83028430

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyloxan-4-yl)carbamoylamino]benzoic acid?
The IUPAC name of 2-[(2,2-dimethyloxan-4-yl)carbamoylamino]benzoic acid (CID 83034494) is 2-[(2,2-dimethyloxan-4-yl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-[(2,2-dimethyloxan-4-yl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-[(2,2-dimethyloxan-4-yl)carbamoylamino]benzoic acid is CC1(C)CC(NC(=O)Nc2ccccc2C(=O)O)CCO1.
What is the InChIKey of 2-[(2,2-dimethyloxan-4-yl)carbamoylamino]benzoic acid?
The InChIKey is UJHZFEGLZNTJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(2)9-10(7-8-21-15)16-14(20)17-12-6-4-3-5-11(12)13(18)19/h3-6,10H,7-9H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(2,2-dimethyloxan-4-yl)carbamoylamino]benzoic acid?
2-[(2,2-dimethyloxan-4-yl)carbamoylamino]benzoic acid has a molecular weight of 292.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyloxan-4-yl)carbamoylamino]benzoic acid is sourced from PubChem (CID 83034494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).