4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoic acid

C15H22N2O3 — CID 82784856

IUPAC4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoic acid
SMILESCOCCN(c1cc(C(=O)O)ccc1N)C(C)C1CC1
InChIInChI=1S/C15H22N2O3/c1-10(11-3-4-11)17(7-8-20-2)14-9-12(15(18)19)5-6-13(14)16/h5-6,9-11H,3-4,7-8,16H2,1-2H3,(H,18,19)
InChIKeySXBWLOXNPMMRKO-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.22
Rot. Bonds7

About 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoic acid

4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoic acid (PubChem CID 82784856) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoic acid.

Molecular Properties

Compound Name4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoic acid
PubChem CID82784856
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoic acid
SMILESCOCCN(c1cc(C(=O)O)ccc1N)C(C)C1CC1
InChIInChI=1S/C15H22N2O3/c1-10(11-3-4-11)17(7-8-20-2)14-9-12(15(18)19)5-6-13(14)16/h5-6,9-11H,3-4,7-8,16H2,1-2H3,(H,18,19)
InChIKeySXBWLOXNPMMRKO-UHFFFAOYSA-N
XLogP2.22
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.22
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-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzamide
CID 63356402
4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]benzoic acid
CID 82785491
4-amino-3-[bis(2-methoxyethyl)amino]benzoic acid
CID 82785312
1-N-(1-cyclopropylethyl)-1-N-(2-methoxyethyl)-4-methylbenzene-1,2-diamine
CID 55004687
methyl 2-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoate
CID 115545540
methyl 5-amino-6-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-2-carboxylate
CID 114406087
4-amino-3-[butan-2-yl(ethyl)amino]benzoic acid
CID 82785049
1-N-(1-cyclopropylethyl)-2-fluoro-5-methoxy-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 107259041
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbenzoic acid
CID 107112105
3-amino-4-[amino(2-methoxyethyl)amino]benzoic acid
CID 142893824
2-[(1S)-1-aminoethyl]-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 63368929
methyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate
CID 82785230

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoic acid?
The IUPAC name of 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoic acid (CID 82784856) is 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoic acid.
What is the SMILES notation for 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoic acid?
The canonical SMILES for 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoic acid is COCCN(c1cc(C(=O)O)ccc1N)C(C)C1CC1.
What is the InChIKey of 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoic acid?
The InChIKey is SXBWLOXNPMMRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(11-3-4-11)17(7-8-20-2)14-9-12(15(18)19)5-6-13(14)16/h5-6,9-11H,3-4,7-8,16H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoic acid?
4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoic acid is sourced from PubChem (CID 82784856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).