3-[(4-amino-2-methoxybenzoyl)-ethylamino]-2-methylpropanoic acid

C14H20N2O4 — CID 107207825

IUPAC3-[(4-amino-2-methoxybenzoyl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)c1ccc(N)cc1OC
InChIInChI=1S/C14H20N2O4/c1-4-16(8-9(2)14(18)19)13(17)11-6-5-10(15)7-12(11)20-3/h5-7,9H,4,8,15H2,1-3H3,(H,18,19)
InChIKeyRVVJCNHKHTVZSM-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.46
Rot. Bonds6

About 3-[(4-amino-2-methoxybenzoyl)-ethylamino]-2-methylpropanoic acid

3-[(4-amino-2-methoxybenzoyl)-ethylamino]-2-methylpropanoic acid (PubChem CID 107207825) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-[(4-amino-2-methoxybenzoyl)-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-amino-2-methoxybenzoyl)-ethylamino]-2-methylpropanoic acid
PubChem CID107207825
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-[(4-amino-2-methoxybenzoyl)-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)c1ccc(N)cc1OC
InChIInChI=1S/C14H20N2O4/c1-4-16(8-9(2)14(18)19)13(17)11-6-5-10(15)7-12(11)20-3/h5-7,9H,4,8,15H2,1-3H3,(H,18,19)
InChIKeyRVVJCNHKHTVZSM-UHFFFAOYSA-N
XLogP1.46
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.46
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

3-[(4-chloro-2-methoxybenzoyl)-ethylamino]-2-methylpropanoic acid
CID 62827749
4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid
CID 107207914
3-[ethyl-(2-prop-2-enoxybenzoyl)amino]-2-methylpropanoic acid
CID 62825771
3-[2-hydroxypropyl-(2-methoxybenzoyl)amino]-2-methylpropanoic acid
CID 82324930
[5-amino-2-(diethylcarbamoyl)phenyl] methanesulfonate
CID 123498566
(2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107836361
4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107836071
(2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid
CID 107207808
3-[benzoyl(ethyl)amino]-2-methylpropanoic acid
CID 62827364
3-[(5-bromo-2-hydroxybenzoyl)-ethylamino]-2-methylpropanoic acid
CID 107729348
3-[(5-chloro-2-iodobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 103790952
3-[(4-amino-3-fluorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 55158896

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2-methoxybenzoyl)-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(4-amino-2-methoxybenzoyl)-ethylamino]-2-methylpropanoic acid (CID 107207825) is 3-[(4-amino-2-methoxybenzoyl)-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-amino-2-methoxybenzoyl)-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-amino-2-methoxybenzoyl)-ethylamino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)c1ccc(N)cc1OC.
What is the InChIKey of 3-[(4-amino-2-methoxybenzoyl)-ethylamino]-2-methylpropanoic acid?
The InChIKey is RVVJCNHKHTVZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-16(8-9(2)14(18)19)13(17)11-6-5-10(15)7-12(11)20-3/h5-7,9H,4,8,15H2,1-3H3,(H,18,19).
What are the key properties of 3-[(4-amino-2-methoxybenzoyl)-ethylamino]-2-methylpropanoic acid?
3-[(4-amino-2-methoxybenzoyl)-ethylamino]-2-methylpropanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-2-methoxybenzoyl)-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 107207825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).