4,5-dimethoxy-2-[(2-methylcyclopropyl)carbamoylamino]benzoic acid

C14H18N2O5 — CID 62409595

IUPAC4,5-dimethoxy-2-[(2-methylcyclopropyl)carbamoylamino]benzoic acid
SMILESCOc1cc(NC(=O)NC2CC2C)c(C(=O)O)cc1OC
InChIInChI=1S/C14H18N2O5/c1-7-4-9(7)15-14(19)16-10-6-12(21-3)11(20-2)5-8(10)13(17)18/h5-7,9H,4H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyMPWLPPWSIKTUQB-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.93
Rot. Bonds5

About 4,5-dimethoxy-2-[(2-methylcyclopropyl)carbamoylamino]benzoic acid

4,5-dimethoxy-2-[(2-methylcyclopropyl)carbamoylamino]benzoic acid (PubChem CID 62409595) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4,5-dimethoxy-2-[(2-methylcyclopropyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name4,5-dimethoxy-2-[(2-methylcyclopropyl)carbamoylamino]benzoic acid
PubChem CID62409595
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name4,5-dimethoxy-2-[(2-methylcyclopropyl)carbamoylamino]benzoic acid
SMILESCOc1cc(NC(=O)NC2CC2C)c(C(=O)O)cc1OC
InChIInChI=1S/C14H18N2O5/c1-7-4-9(7)15-14(19)16-10-6-12(21-3)11(20-2)5-8(10)13(17)18/h5-7,9H,4H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyMPWLPPWSIKTUQB-UHFFFAOYSA-N
XLogP1.93
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4,5-dimethoxy-2-[(2-methylcyclopropyl)carbamoylamino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dimethoxy-2-(propan-2-ylcarbamoylamino)benzoic acid
CID 28737773
2-(dimethylaminocarbamoylamino)-4,5-dimethoxybenzoic acid
CID 83018527
2-[(4-fluorophenyl)carbamoylamino]-4,5-dimethoxybenzoic acid
CID 16774686
2-hydrazinyl-4,5-dimethoxybenzoic acid;hydrochloride
CID 170985236
4-fluoro-3-[(2-methylcyclopropyl)carbamoylamino]benzoic acid
CID 62410543
2-[[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-4,5-dimethoxybenzoic acid
CID 6359208
5-chloro-4-(cyclobutylcarbamoylamino)-2-methoxybenzoic acid
CID 62416581
1-(2-methoxyphenyl)-3-[3-[(2-methoxyphenyl)carbamoylamino]-4-methylcyclohexyl]urea
CID 3446591
2-[[(2R)-2-aminopentanoyl]amino]-4,5-dimethoxybenzoic acid
CID 103870871
ethane;2-(ethylamino)-4,5-dimethoxybenzoic acid
CID 142222360
5-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 63279157
4,5-difluoro-2-[(2-methyloxolan-3-yl)carbamoylamino]benzoic acid
CID 82728062

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-[(2-methylcyclopropyl)carbamoylamino]benzoic acid?
The IUPAC name of 4,5-dimethoxy-2-[(2-methylcyclopropyl)carbamoylamino]benzoic acid (CID 62409595) is 4,5-dimethoxy-2-[(2-methylcyclopropyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 4,5-dimethoxy-2-[(2-methylcyclopropyl)carbamoylamino]benzoic acid?
The canonical SMILES for 4,5-dimethoxy-2-[(2-methylcyclopropyl)carbamoylamino]benzoic acid is COc1cc(NC(=O)NC2CC2C)c(C(=O)O)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-[(2-methylcyclopropyl)carbamoylamino]benzoic acid?
The InChIKey is MPWLPPWSIKTUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-7-4-9(7)15-14(19)16-10-6-12(21-3)11(20-2)5-8(10)13(17)18/h5-7,9H,4H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4,5-dimethoxy-2-[(2-methylcyclopropyl)carbamoylamino]benzoic acid?
4,5-dimethoxy-2-[(2-methylcyclopropyl)carbamoylamino]benzoic acid has a molecular weight of 294.31 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-[(2-methylcyclopropyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 62409595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).