5-amino-2-[bis(2-methylpropyl)amino]benzoic acid

C15H24N2O2 — CID 61376744

IUPAC5-amino-2-[bis(2-methylpropyl)amino]benzoic acid
SMILESCC(C)CN(CC(C)C)c1ccc(N)cc1C(=O)O
InChIInChI=1S/C15H24N2O2/c1-10(2)8-17(9-11(3)4)14-6-5-12(16)7-13(14)15(18)19/h5-7,10-11H,8-9,16H2,1-4H3,(H,18,19)
InChIKeyZDLSIWTZUAVJIX-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.09
Rot. Bonds6

About 5-amino-2-[bis(2-methylpropyl)amino]benzoic acid

5-amino-2-[bis(2-methylpropyl)amino]benzoic acid (PubChem CID 61376744) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-amino-2-[bis(2-methylpropyl)amino]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[bis(2-methylpropyl)amino]benzoic acid
PubChem CID61376744
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name5-amino-2-[bis(2-methylpropyl)amino]benzoic acid
SMILESCC(C)CN(CC(C)C)c1ccc(N)cc1C(=O)O
InChIInChI=1S/C15H24N2O2/c1-10(2)8-17(9-11(3)4)14-6-5-12(16)7-13(14)15(18)19/h5-7,10-11H,8-9,16H2,1-4H3,(H,18,19)
InChIKeyZDLSIWTZUAVJIX-UHFFFAOYSA-N
XLogP3.09
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[2-cyanopropyl(ethyl)amino]benzoic acid
CID 54988290
5-amino-2-[bis(2-hydroxyethyl)amino]benzoic acid
CID 61235629
5-amino-2-[ethyl(2-hydroxyethyl)amino]benzoic acid
CID 60989168
2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-5-chlorobenzoic acid
CID 55009627
5-amino-2-[bis(2-methylpropyl)amino]-3-chlorobenzoic acid
CID 107194462
5-amino-2-[1-carboxypropyl(methyl)amino]benzoic acid
CID 64660956
5-amino-2-[methyl(3,4,4-trimethylpentanoyl)amino]benzoic acid
CID 63833561
2-[3-amino-4-[bis(2-methylpropyl)amino]phenyl]cyclopropane-1-carboxylic acid
CID 90458916
5-amino-2-[methyl-[3-oxo-3-(propan-2-ylamino)propyl]amino]benzoic acid
CID 63116508
5-amino-2-(2-methylpropylsulfanyl)benzoic acid
CID 60987987
3-amino-4-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]benzoic acid
CID 55003908
5-amino-2-(N-ethylanilino)benzoic acid
CID 54888269

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[bis(2-methylpropyl)amino]benzoic acid?
The IUPAC name of 5-amino-2-[bis(2-methylpropyl)amino]benzoic acid (CID 61376744) is 5-amino-2-[bis(2-methylpropyl)amino]benzoic acid.
What is the SMILES notation for 5-amino-2-[bis(2-methylpropyl)amino]benzoic acid?
The canonical SMILES for 5-amino-2-[bis(2-methylpropyl)amino]benzoic acid is CC(C)CN(CC(C)C)c1ccc(N)cc1C(=O)O.
What is the InChIKey of 5-amino-2-[bis(2-methylpropyl)amino]benzoic acid?
The InChIKey is ZDLSIWTZUAVJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)8-17(9-11(3)4)14-6-5-12(16)7-13(14)15(18)19/h5-7,10-11H,8-9,16H2,1-4H3,(H,18,19).
What are the key properties of 5-amino-2-[bis(2-methylpropyl)amino]benzoic acid?
5-amino-2-[bis(2-methylpropyl)amino]benzoic acid has a molecular weight of 264.37 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[bis(2-methylpropyl)amino]benzoic acid is sourced from PubChem (CID 61376744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).