5-methyl-2-(propan-2-ylamino)benzoic acid

C11H15NO2 — CID 13064660

IUPAC5-methyl-2-(propan-2-ylamino)benzoic acid
SMILESCc1ccc(NC(C)C)c(C(=O)O)c1
InChIInChI=1S/C11H15NO2/c1-7(2)12-10-5-4-8(3)6-9(10)11(13)14/h4-7,12H,1-3H3,(H,13,14)
InChIKeyOVMMTAOLVICNMI-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.51
Rot. Bonds3

About 5-methyl-2-(propan-2-ylamino)benzoic acid

5-methyl-2-(propan-2-ylamino)benzoic acid (PubChem CID 13064660) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-methyl-2-(propan-2-ylamino)benzoic acid.

Molecular Properties

Compound Name5-methyl-2-(propan-2-ylamino)benzoic acid
PubChem CID13064660
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name5-methyl-2-(propan-2-ylamino)benzoic acid
SMILESCc1ccc(NC(C)C)c(C(=O)O)c1
InChIInChI=1S/C11H15NO2/c1-7(2)12-10-5-4-8(3)6-9(10)11(13)14/h4-7,12H,1-3H3,(H,13,14)
InChIKeyOVMMTAOLVICNMI-UHFFFAOYSA-N
XLogP2.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(but-3-yn-2-ylamino)-5-methylbenzoic acid
CID 114417638
5-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]benzoic acid
CID 61159065
4-methyl-2-(3-methylbutan-2-ylamino)benzoic acid
CID 62710762
5-methyl-2-(3-methylbutylamino)benzoic acid
CID 18802499
2-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]-5-methylbenzoic acid
CID 62516224
2-[1-(2,4-dichlorophenyl)ethylamino]-5-methylbenzoic acid
CID 63528171
5-methyl-2-(1-pyridin-3-ylethylamino)benzoic acid
CID 62514651
2-[(2,2-dichloroacetyl)amino]-5-methylbenzoic acid
CID 110465836
5-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
CID 62516052
2-(hex-1-yn-3-ylamino)-5-methylbenzoic acid
CID 106231039
2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid
CID 107702371
5-methyl-2-(2-propan-2-yloxyethylamino)benzoic acid
CID 104762145

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(propan-2-ylamino)benzoic acid?
The IUPAC name of 5-methyl-2-(propan-2-ylamino)benzoic acid (CID 13064660) is 5-methyl-2-(propan-2-ylamino)benzoic acid.
What is the SMILES notation for 5-methyl-2-(propan-2-ylamino)benzoic acid?
The canonical SMILES for 5-methyl-2-(propan-2-ylamino)benzoic acid is Cc1ccc(NC(C)C)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-(propan-2-ylamino)benzoic acid?
The InChIKey is OVMMTAOLVICNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7(2)12-10-5-4-8(3)6-9(10)11(13)14/h4-7,12H,1-3H3,(H,13,14).
What are the key properties of 5-methyl-2-(propan-2-ylamino)benzoic acid?
5-methyl-2-(propan-2-ylamino)benzoic acid has a molecular weight of 193.25 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(propan-2-ylamino)benzoic acid is sourced from PubChem (CID 13064660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).