2-[2-[methyl-[2-(propan-2-ylamino)acetyl]amino]ethyl]benzoic acid

C15H22N2O3 — CID 104548309

IUPAC2-[2-[methyl-[2-(propan-2-ylamino)acetyl]amino]ethyl]benzoic acid
SMILESCC(C)NCC(=O)N(C)CCc1ccccc1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-11(2)16-10-14(18)17(3)9-8-12-6-4-5-7-13(12)15(19)20/h4-7,11,16H,8-10H2,1-3H3,(H,19,20)
InChIKeyGWOYOUPGAIXIKV-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.38
Rot. Bonds7

About 2-[2-[methyl-[2-(propan-2-ylamino)acetyl]amino]ethyl]benzoic acid

2-[2-[methyl-[2-(propan-2-ylamino)acetyl]amino]ethyl]benzoic acid (PubChem CID 104548309) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[2-[methyl-[2-(propan-2-ylamino)acetyl]amino]ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[methyl-[2-(propan-2-ylamino)acetyl]amino]ethyl]benzoic acid
PubChem CID104548309
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[2-[methyl-[2-(propan-2-ylamino)acetyl]amino]ethyl]benzoic acid
SMILESCC(C)NCC(=O)N(C)CCc1ccccc1C(=O)O
InChIInChI=1S/C15H22N2O3/c1-11(2)16-10-14(18)17(3)9-8-12-6-4-5-7-13(12)15(19)20/h4-7,11,16H,8-10H2,1-3H3,(H,19,20)
InChIKeyGWOYOUPGAIXIKV-UHFFFAOYSA-N
XLogP1.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158349
2-[2-[[2-(cyclopropylamino)acetyl]-methylamino]ethyl]benzoic acid
CID 104548350
2-[2-[2-aminopropanoyl(methyl)amino]ethyl]benzoic acid
CID 104548321
2-[2-[(5-amino-4-methylpentanoyl)-methylamino]ethyl]benzoic acid
CID 104548346
2-[2-[(2-amino-3-methylbutanoyl)-methylamino]ethyl]benzoic acid
CID 104548293
2-[2-[3-methoxypropanoyl(methyl)amino]ethyl]benzoic acid
CID 113425626
2-[2-[methyl(3-methylsulfanylpropanoyl)amino]ethyl]benzoic acid
CID 104547060
2-[2-[methyl-(2-thiophen-2-ylacetyl)amino]ethyl]benzoic acid
CID 104546869
2-[2-[2-(dimethylamino)ethylcarbamoyl-methylamino]ethyl]benzoic acid
CID 104548567
N-[2-(4-chlorophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158336
2-[2-[[(E)-but-2-enoyl]-methylamino]ethyl]benzoic acid
CID 104546895
N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60683172

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl-[2-(propan-2-ylamino)acetyl]amino]ethyl]benzoic acid?
The IUPAC name of 2-[2-[methyl-[2-(propan-2-ylamino)acetyl]amino]ethyl]benzoic acid (CID 104548309) is 2-[2-[methyl-[2-(propan-2-ylamino)acetyl]amino]ethyl]benzoic acid.
What is the SMILES notation for 2-[2-[methyl-[2-(propan-2-ylamino)acetyl]amino]ethyl]benzoic acid?
The canonical SMILES for 2-[2-[methyl-[2-(propan-2-ylamino)acetyl]amino]ethyl]benzoic acid is CC(C)NCC(=O)N(C)CCc1ccccc1C(=O)O.
What is the InChIKey of 2-[2-[methyl-[2-(propan-2-ylamino)acetyl]amino]ethyl]benzoic acid?
The InChIKey is GWOYOUPGAIXIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)16-10-14(18)17(3)9-8-12-6-4-5-7-13(12)15(19)20/h4-7,11,16H,8-10H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-[methyl-[2-(propan-2-ylamino)acetyl]amino]ethyl]benzoic acid?
2-[2-[methyl-[2-(propan-2-ylamino)acetyl]amino]ethyl]benzoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl-[2-(propan-2-ylamino)acetyl]amino]ethyl]benzoic acid is sourced from PubChem (CID 104548309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).