2-[2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-2-oxoethyl]benzoic acid

C15H20N2O4 — CID 115923695

IUPAC2-[2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-2-oxoethyl]benzoic acid
SMILESCC(C)CN(CC(N)=O)C(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-10(2)8-17(9-13(16)18)14(19)7-11-5-3-4-6-12(11)15(20)21/h3-6,10H,7-9H2,1-2H3,(H2,16,18)(H,20,21)
InChIKeyCSWDDMLLTDZNJV-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.90
Rot. Bonds7

About 2-[2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-2-oxoethyl]benzoic acid

2-[2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-2-oxoethyl]benzoic acid (PubChem CID 115923695) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-2-oxoethyl]benzoic acid
PubChem CID115923695
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-2-oxoethyl]benzoic acid
SMILESCC(C)CN(CC(N)=O)C(=O)Cc1ccccc1C(=O)O
InChIInChI=1S/C15H20N2O4/c1-10(2)8-17(9-13(16)18)14(19)7-11-5-3-4-6-12(11)15(20)21/h3-6,10H,7-9H2,1-2H3,(H2,16,18)(H,20,21)
InChIKeyCSWDDMLLTDZNJV-UHFFFAOYSA-N
XLogP0.90
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoethyl]benzoic acid
CID 104601355
2-[2-(diethylamino)-2-oxoethyl]benzoic acid
CID 115923676
2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid
CID 113354301
2-[[bis(2-methylpropyl)amino]methyl]benzoic acid
CID 22680071
2-[2-(dipropylamino)-2-oxoethyl]benzoic acid
CID 112568579
2-[(2R)-2-aminopropyl]benzoic acid
CID 20581914
2-[benzylcarbamoyl(2-methylpropyl)amino]acetamide
CID 107653133
N-(2-amino-2-oxoethyl)-2-(5-amino-2-pyridinyl)-N-(2-methylpropyl)acetamide
CID 107338053
N,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide
CID 55157593
2-[2-(N-methylanilino)-2-oxoethyl]benzoic acid
CID 115923550
2-[[2-(2-methylphenyl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 62035855
2-[[2-(2-chlorophenyl)-2-oxoethyl]-(2-methylpropyl)amino]acetamide
CID 62036439

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-2-oxoethyl]benzoic acid (CID 115923695) is 2-[2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-2-oxoethyl]benzoic acid is CC(C)CN(CC(N)=O)C(=O)Cc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-2-oxoethyl]benzoic acid?
The InChIKey is CSWDDMLLTDZNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(2)8-17(9-13(16)18)14(19)7-11-5-3-4-6-12(11)15(20)21/h3-6,10H,7-9H2,1-2H3,(H2,16,18)(H,20,21).
What are the key properties of 2-[2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-2-oxoethyl]benzoic acid?
2-[2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-2-oxoethyl]benzoic acid has a molecular weight of 292.33 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]-2-oxoethyl]benzoic acid is sourced from PubChem (CID 115923695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).