4-[(3-hydroxy-3-methylcyclobutanecarbonyl)amino]-2-methoxybenzoic acid

C14H17NO5 — CID 166304892

IUPAC4-[(3-hydroxy-3-methylcyclobutanecarbonyl)amino]-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)C2CC(C)(O)C2)ccc1C(=O)O
InChIInChI=1S/C14H17NO5/c1-14(19)6-8(7-14)12(16)15-9-3-4-10(13(17)18)11(5-9)20-2/h3-5,8,19H,6-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyNAKYBHALHLTIIS-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.49
Rot. Bonds4

About 4-[(3-hydroxy-3-methylcyclobutanecarbonyl)amino]-2-methoxybenzoic acid

4-[(3-hydroxy-3-methylcyclobutanecarbonyl)amino]-2-methoxybenzoic acid (PubChem CID 166304892) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-[(3-hydroxy-3-methylcyclobutanecarbonyl)amino]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-[(3-hydroxy-3-methylcyclobutanecarbonyl)amino]-2-methoxybenzoic acid
PubChem CID166304892
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name4-[(3-hydroxy-3-methylcyclobutanecarbonyl)amino]-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)C2CC(C)(O)C2)ccc1C(=O)O
InChIInChI=1S/C14H17NO5/c1-14(19)6-8(7-14)12(16)15-9-3-4-10(13(17)18)11(5-9)20-2/h3-5,8,19H,6-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyNAKYBHALHLTIIS-UHFFFAOYSA-N
XLogP1.49
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-methoxybenzoic acid
CID 107208664
4-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methoxybenzoic acid
CID 107208684
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid
CID 107208023
4-[(4-amino-3-methyloxolane-3-carbonyl)amino]-2-methoxybenzoic acid
CID 107208126
4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209379
2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid
CID 107208665
2-methoxy-4-(thiolan-3-ylcarbamoylamino)benzoic acid
CID 107209601
4-(cycloheptylamino)-2-methoxybenzoic acid
CID 107209609
2-methoxy-4-[(4-methylbenzoyl)amino]benzoic acid
CID 107208693
2-methoxy-4-[(2-methylsulfonylacetyl)amino]benzoic acid
CID 107208815
2-methoxy-4-(2,2,2-trifluoroethylcarbamoylamino)benzoic acid
CID 107208858

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-3-methylcyclobutanecarbonyl)amino]-2-methoxybenzoic acid?
The IUPAC name of 4-[(3-hydroxy-3-methylcyclobutanecarbonyl)amino]-2-methoxybenzoic acid (CID 166304892) is 4-[(3-hydroxy-3-methylcyclobutanecarbonyl)amino]-2-methoxybenzoic acid.
What is the SMILES notation for 4-[(3-hydroxy-3-methylcyclobutanecarbonyl)amino]-2-methoxybenzoic acid?
The canonical SMILES for 4-[(3-hydroxy-3-methylcyclobutanecarbonyl)amino]-2-methoxybenzoic acid is COc1cc(NC(=O)C2CC(C)(O)C2)ccc1C(=O)O.
What is the InChIKey of 4-[(3-hydroxy-3-methylcyclobutanecarbonyl)amino]-2-methoxybenzoic acid?
The InChIKey is NAKYBHALHLTIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-14(19)6-8(7-14)12(16)15-9-3-4-10(13(17)18)11(5-9)20-2/h3-5,8,19H,6-7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-[(3-hydroxy-3-methylcyclobutanecarbonyl)amino]-2-methoxybenzoic acid?
4-[(3-hydroxy-3-methylcyclobutanecarbonyl)amino]-2-methoxybenzoic acid has a molecular weight of 279.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-3-methylcyclobutanecarbonyl)amino]-2-methoxybenzoic acid is sourced from PubChem (CID 166304892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).