5-amino-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzoic acid

C14H23N3O2 — CID 61478628

IUPAC5-amino-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzoic acid
SMILESCC(C)C(CN(C)C)Nc1ccc(N)cc1C(=O)O
InChIInChI=1S/C14H23N3O2/c1-9(2)13(8-17(3)4)16-12-6-5-10(15)7-11(12)14(18)19/h5-7,9,13,16H,8,15H2,1-4H3,(H,18,19)
InChIKeyCFCZYNDHVXVNRJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.97
Rot. Bonds6

About 5-amino-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzoic acid

5-amino-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzoic acid (PubChem CID 61478628) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-amino-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzoic acid
PubChem CID61478628
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-amino-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzoic acid
SMILESCC(C)C(CN(C)C)Nc1ccc(N)cc1C(=O)O
InChIInChI=1S/C14H23N3O2/c1-9(2)13(8-17(3)4)16-12-6-5-10(15)7-11(12)14(18)19/h5-7,9,13,16H,8,15H2,1-4H3,(H,18,19)
InChIKeyCFCZYNDHVXVNRJ-UHFFFAOYSA-N
XLogP1.97
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(butan-2-ylamino)benzoic acid
CID 60988794
5-amino-3-chloro-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzoic acid
CID 107194989
5-amino-2-(pentan-3-ylamino)benzoic acid
CID 60989133
5-amino-2-(4-methoxybutan-2-ylamino)benzoic acid
CID 64605735
5-amino-2-(hexan-2-ylamino)benzoic acid
CID 62200465
4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-3-nitrobenzoic acid
CID 61478142
5-amino-2-(octan-2-ylamino)benzoic acid
CID 61478878
5-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-nitrobenzamide
CID 62159589
5-amino-2-(methylamino)benzoic acid
CID 19006283
5-amino-2-[[2-(dimethylamino)-2-oxoethyl]amino]benzoic acid
CID 54888315
5-amino-2-(1-cyclohexylethylamino)benzoic acid
CID 62407430
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-6-fluorobenzoic acid
CID 79522755

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzoic acid?
The IUPAC name of 5-amino-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzoic acid (CID 61478628) is 5-amino-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzoic acid.
What is the SMILES notation for 5-amino-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzoic acid?
The canonical SMILES for 5-amino-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzoic acid is CC(C)C(CN(C)C)Nc1ccc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzoic acid?
The InChIKey is CFCZYNDHVXVNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9(2)13(8-17(3)4)16-12-6-5-10(15)7-11(12)14(18)19/h5-7,9,13,16H,8,15H2,1-4H3,(H,18,19).
What are the key properties of 5-amino-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzoic acid?
5-amino-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzoic acid has a molecular weight of 265.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzoic acid is sourced from PubChem (CID 61478628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).