5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoic acid

C15H24N2O3 — CID 115505662

IUPAC5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoic acid
SMILESCC(C)N(CCOc1ccc(N)cc1C(=O)O)C(C)C
InChIInChI=1S/C15H24N2O3/c1-10(2)17(11(3)4)7-8-20-14-6-5-12(16)9-13(14)15(18)19/h5-6,9-11H,7-8,16H2,1-4H3,(H,18,19)
InChIKeyPBPBBXLURNXBMM-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.46
Rot. Bonds7

About 5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoic acid

5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoic acid (PubChem CID 115505662) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoic acid
PubChem CID115505662
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoic acid
SMILESCC(C)N(CCOc1ccc(N)cc1C(=O)O)C(C)C
InChIInChI=1S/C15H24N2O3/c1-10(2)17(11(3)4)7-8-20-14-6-5-12(16)9-13(14)15(18)19/h5-6,9-11H,7-8,16H2,1-4H3,(H,18,19)
InChIKeyPBPBBXLURNXBMM-UHFFFAOYSA-N
XLogP2.46
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbenzamide
CID 115505387
5-amino-2-(3-methylsulfonylpropoxy)benzoic acid
CID 55161960
5-amino-2-(3-cyanopropoxy)benzoic acid
CID 43380002
ethyl 4-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoate;phosphoric acid
CID 134109853
3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505910
2-amino-5-[2-[di(propan-2-yl)amino]ethoxy]benzamide
CID 115505667
4-amino-2-[2-(diethylamino)ethoxy]benzoic acid
CID 56992725
3-[2-[di(propan-2-yl)amino]ethoxy]-4-nitroaniline
CID 18672688
1-[2-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-2-methylpropan-1-one;hydrochloride
CID 138398535
1-[5-amino-2-(3-methylbutoxy)phenyl]ethanone
CID 116540998
5-amino-2-(cyclopropylmethoxy)benzoic acid
CID 43560606
5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]pyridine-3-carboxamide
CID 115505405

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoic acid?
The IUPAC name of 5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoic acid (CID 115505662) is 5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoic acid.
What is the SMILES notation for 5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoic acid?
The canonical SMILES for 5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoic acid is CC(C)N(CCOc1ccc(N)cc1C(=O)O)C(C)C.
What is the InChIKey of 5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoic acid?
The InChIKey is PBPBBXLURNXBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(2)17(11(3)4)7-8-20-14-6-5-12(16)9-13(14)15(18)19/h5-6,9-11H,7-8,16H2,1-4H3,(H,18,19).
What are the key properties of 5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoic acid?
5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoic acid has a molecular weight of 280.37 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoic acid is sourced from PubChem (CID 115505662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).