2-(dicyclopropylmethylcarbamoylamino)benzoic acid

C15H18N2O3 — CID 61480864

IUPAC2-(dicyclopropylmethylcarbamoylamino)benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)NC(C1CC1)C1CC1
InChIInChI=1S/C15H18N2O3/c18-14(19)11-3-1-2-4-12(11)16-15(20)17-13(9-5-6-9)10-7-8-10/h1-4,9-10,13H,5-8H2,(H,18,19)(H2,16,17,20)
InChIKeyRAXREMPGIAIRBZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.69
Rot. Bonds5

About 2-(dicyclopropylmethylcarbamoylamino)benzoic acid

2-(dicyclopropylmethylcarbamoylamino)benzoic acid (PubChem CID 61480864) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(dicyclopropylmethylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name2-(dicyclopropylmethylcarbamoylamino)benzoic acid
PubChem CID61480864
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(dicyclopropylmethylcarbamoylamino)benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)NC(C1CC1)C1CC1
InChIInChI=1S/C15H18N2O3/c18-14(19)11-3-1-2-4-12(11)16-15(20)17-13(9-5-6-9)10-7-8-10/h1-4,9-10,13H,5-8H2,(H,18,19)(H2,16,17,20)
InChIKeyRAXREMPGIAIRBZ-UHFFFAOYSA-N
XLogP2.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dicyclopropylmethylcarbamoylamino)-5-fluorobenzoic acid
CID 61481026
2-[2-(dicyclopropylmethylamino)-2-oxoethyl]benzoic acid
CID 115923634
1-(3-chloro-2-fluorophenyl)-3-(dicyclopropylmethyl)urea
CID 47198534
5-(dicyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid
CID 61480748
2-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 61465784
2-[(2-cyclopropyl-2-phenylacetyl)amino]benzamide
CID 110675339
2-(1-cyclopropylethylcarbamoylamino)-5-hydroxybenzoic acid
CID 61405929
2-(cycloheptanecarbonylamino)benzoic acid
CID 55091870
2-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
CID 113467363
2-[(2,2-diphenylacetyl)carbamothioylamino]benzoic acid
CID 4504563
1-(2-acetylphenyl)-3-propan-2-ylurea
CID 28738066
2-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]benzoic acid
CID 79380563

Frequently Asked Questions

What is the IUPAC name of 2-(dicyclopropylmethylcarbamoylamino)benzoic acid?
The IUPAC name of 2-(dicyclopropylmethylcarbamoylamino)benzoic acid (CID 61480864) is 2-(dicyclopropylmethylcarbamoylamino)benzoic acid.
What is the SMILES notation for 2-(dicyclopropylmethylcarbamoylamino)benzoic acid?
The canonical SMILES for 2-(dicyclopropylmethylcarbamoylamino)benzoic acid is O=C(Nc1ccccc1C(=O)O)NC(C1CC1)C1CC1.
What is the InChIKey of 2-(dicyclopropylmethylcarbamoylamino)benzoic acid?
The InChIKey is RAXREMPGIAIRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14(19)11-3-1-2-4-12(11)16-15(20)17-13(9-5-6-9)10-7-8-10/h1-4,9-10,13H,5-8H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-(dicyclopropylmethylcarbamoylamino)benzoic acid?
2-(dicyclopropylmethylcarbamoylamino)benzoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dicyclopropylmethylcarbamoylamino)benzoic acid is sourced from PubChem (CID 61480864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).