4-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methoxybenzoic acid

C16H19NO4 — CID 107208684

IUPAC4-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)C2C3CCCCC32)ccc1C(=O)O
InChIInChI=1S/C16H19NO4/c1-21-13-8-9(6-7-12(13)16(19)20)17-15(18)14-10-4-2-3-5-11(10)14/h6-8,10-11,14H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyAJWVYPQQEWQORP-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.77
Rot. Bonds4

About 4-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methoxybenzoic acid

4-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methoxybenzoic acid (PubChem CID 107208684) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methoxybenzoic acid
PubChem CID107208684
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name4-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methoxybenzoic acid
SMILESCOc1cc(NC(=O)C2C3CCCCC32)ccc1C(=O)O
InChIInChI=1S/C16H19NO4/c1-21-13-8-9(6-7-12(13)16(19)20)17-15(18)14-10-4-2-3-5-11(10)14/h6-8,10-11,14H,2-5H2,1H3,(H,17,18)(H,19,20)
InChIKeyAJWVYPQQEWQORP-UHFFFAOYSA-N
XLogP2.77
TPSA75.63 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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methoxybenzoic acid with MolForge

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Related Compounds

4-[[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]methyl]-2-methoxybenzoic acid
CID 129414926
4-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-methoxybenzoic acid
CID 107208664
4-(cycloheptylamino)-2-methoxybenzoic acid
CID 107209609
4-[(3-hydroxy-3-methylcyclobutanecarbonyl)amino]-2-methoxybenzoic acid
CID 166304892
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
2-methoxy-4-(thiolan-3-ylcarbamoylamino)benzoic acid
CID 107209601
4-[(1-aminocyclopentanecarbonyl)amino]-2-methoxybenzoic acid
CID 107208023
(1S,6R)-N-[3-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 1113205
(1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 98092900
(1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 6968106
4-[[cyclopropyl(propyl)carbamoyl]amino]-2-methoxybenzoic acid
CID 107209379
4-[(cyclopentylamino)methyl]-2-methoxybenzoic acid
CID 117220016

Frequently Asked Questions

What is the IUPAC name of 4-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methoxybenzoic acid?
The IUPAC name of 4-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methoxybenzoic acid (CID 107208684) is 4-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methoxybenzoic acid.
What is the SMILES notation for 4-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methoxybenzoic acid?
The canonical SMILES for 4-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methoxybenzoic acid is COc1cc(NC(=O)C2C3CCCCC32)ccc1C(=O)O.
What is the InChIKey of 4-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methoxybenzoic acid?
The InChIKey is AJWVYPQQEWQORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-21-13-8-9(6-7-12(13)16(19)20)17-15(18)14-10-4-2-3-5-11(10)14/h6-8,10-11,14H,2-5H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methoxybenzoic acid?
4-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methoxybenzoic acid has a molecular weight of 289.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methoxybenzoic acid is sourced from PubChem (CID 107208684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).