2-(cyclopropanecarbonylamino)-4,5-dimethoxybenzoic acid

C13H15NO5 — CID 804602

IUPAC2-(cyclopropanecarbonylamino)-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NC(=O)C2CC2)c(C(=O)O)cc1OC
InChIInChI=1S/C13H15NO5/c1-18-10-5-8(13(16)17)9(6-11(10)19-2)14-12(15)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJXGBRFGCGDKCCP-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.75
Rot. Bonds5

About 2-(cyclopropanecarbonylamino)-4,5-dimethoxybenzoic acid

2-(cyclopropanecarbonylamino)-4,5-dimethoxybenzoic acid (PubChem CID 804602) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-4,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-4,5-dimethoxybenzoic acid
PubChem CID804602
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-(cyclopropanecarbonylamino)-4,5-dimethoxybenzoic acid
SMILESCOc1cc(NC(=O)C2CC2)c(C(=O)O)cc1OC
InChIInChI=1S/C13H15NO5/c1-18-10-5-8(13(16)17)9(6-11(10)19-2)14-12(15)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJXGBRFGCGDKCCP-UHFFFAOYSA-N
XLogP1.75
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tranilast
CID 5282230
Avenanthramide B
CID 10087955
Methyl 4,5-dimethoxyanthranilate
CID 611144
4,5-Dimethoxyanthranilic acid
CID 79736
Methyl 7-amino-2,3-dihydro-1,4-benzodioxin-6-carboxylate
CID 3146109
N-(3',4'-dimethoxycinnamoyl)anthranilic acid
CID 5527
2-Amino-5-ethoxy-4-methoxybenzoic acid
CID 4962862
6-Amino-1,3-dioxaindane-5-carboxylic acid
CID 7064068
4,5-Dimethoxy-2-nitrobenzoic acid
CID 78690
Avenanthramide 2
CID 101228785
4,5-Dimethoxy-2-[(E)-(3-phenyl-acryloyl)amino]-benzoic acid
CID 804546
2-[(3-Chlorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid
CID 915930

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-4,5-dimethoxybenzoic acid?
The IUPAC name of 2-(cyclopropanecarbonylamino)-4,5-dimethoxybenzoic acid (CID 804602) is 2-(cyclopropanecarbonylamino)-4,5-dimethoxybenzoic acid.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-4,5-dimethoxybenzoic acid?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-4,5-dimethoxybenzoic acid is COc1cc(NC(=O)C2CC2)c(C(=O)O)cc1OC.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-4,5-dimethoxybenzoic acid?
The InChIKey is JXGBRFGCGDKCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-18-10-5-8(13(16)17)9(6-11(10)19-2)14-12(15)7-3-4-7/h5-7H,3-4H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-(cyclopropanecarbonylamino)-4,5-dimethoxybenzoic acid?
2-(cyclopropanecarbonylamino)-4,5-dimethoxybenzoic acid has a molecular weight of 265.26 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-4,5-dimethoxybenzoic acid is sourced from PubChem (CID 804602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).