2-[2-[[2-(cyclopropylamino)acetyl]-methylamino]ethyl]benzoic acid

C15H20N2O3 — CID 104548350

IUPAC2-[2-[[2-(cyclopropylamino)acetyl]-methylamino]ethyl]benzoic acid
SMILESCN(CCc1ccccc1C(=O)O)C(=O)CNC1CC1
InChIInChI=1S/C15H20N2O3/c1-17(14(18)10-16-12-6-7-12)9-8-11-4-2-3-5-13(11)15(19)20/h2-5,12,16H,6-10H2,1H3,(H,19,20)
InChIKeyLECLJKCGMALZMO-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.14
Rot. Bonds7

About 2-[2-[[2-(cyclopropylamino)acetyl]-methylamino]ethyl]benzoic acid

2-[2-[[2-(cyclopropylamino)acetyl]-methylamino]ethyl]benzoic acid (PubChem CID 104548350) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[2-[[2-(cyclopropylamino)acetyl]-methylamino]ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[[2-(cyclopropylamino)acetyl]-methylamino]ethyl]benzoic acid
PubChem CID104548350
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[2-[[2-(cyclopropylamino)acetyl]-methylamino]ethyl]benzoic acid
SMILESCN(CCc1ccccc1C(=O)O)C(=O)CNC1CC1
InChIInChI=1S/C15H20N2O3/c1-17(14(18)10-16-12-6-7-12)9-8-11-4-2-3-5-13(11)15(19)20/h2-5,12,16H,6-10H2,1H3,(H,19,20)
InChIKeyLECLJKCGMALZMO-UHFFFAOYSA-N
XLogP1.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[methyl-[2-(propan-2-ylamino)acetyl]amino]ethyl]benzoic acid
CID 104548309
2-(cyclopropylamino)-N-methyl-N-(3-phenylpropyl)acetamide
CID 54924181
2-[2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]-methylamino]ethyl]benzoic acid
CID 104548746
2-[2-[methyl-(2-thiophen-2-ylacetyl)amino]ethyl]benzoic acid
CID 104546869
2-[2-[methyl-(3-methylpyrrolidine-1-carbonyl)amino]ethyl]benzoic acid
CID 104548603
N-[2-(4-bromophenyl)ethyl]-2-(cyclopropylamino)-N-methylacetamide
CID 115158559
2-[2-[3-methoxypropanoyl(methyl)amino]ethyl]benzoic acid
CID 113425626
2-[2-[methyl(3-methylsulfanylpropanoyl)amino]ethyl]benzoic acid
CID 104547060
2-[2-[cyclopropylsulfonyl(methyl)amino]ethyl]benzoic acid
CID 104547116
2-[2-[methyl(oxane-4-carbonyl)amino]ethyl]benzoic acid
CID 104546867
2-[2-(cyclopentylamino)ethyl]benzoic acid
CID 82934034
2-[2-[methyl-(5-methyloxolane-2-carbonyl)amino]ethyl]benzoic acid
CID 104547047

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(cyclopropylamino)acetyl]-methylamino]ethyl]benzoic acid?
The IUPAC name of 2-[2-[[2-(cyclopropylamino)acetyl]-methylamino]ethyl]benzoic acid (CID 104548350) is 2-[2-[[2-(cyclopropylamino)acetyl]-methylamino]ethyl]benzoic acid.
What is the SMILES notation for 2-[2-[[2-(cyclopropylamino)acetyl]-methylamino]ethyl]benzoic acid?
The canonical SMILES for 2-[2-[[2-(cyclopropylamino)acetyl]-methylamino]ethyl]benzoic acid is CN(CCc1ccccc1C(=O)O)C(=O)CNC1CC1.
What is the InChIKey of 2-[2-[[2-(cyclopropylamino)acetyl]-methylamino]ethyl]benzoic acid?
The InChIKey is LECLJKCGMALZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-17(14(18)10-16-12-6-7-12)9-8-11-4-2-3-5-13(11)15(19)20/h2-5,12,16H,6-10H2,1H3,(H,19,20).
What are the key properties of 2-[2-[[2-(cyclopropylamino)acetyl]-methylamino]ethyl]benzoic acid?
2-[2-[[2-(cyclopropylamino)acetyl]-methylamino]ethyl]benzoic acid has a molecular weight of 276.34 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(cyclopropylamino)acetyl]-methylamino]ethyl]benzoic acid is sourced from PubChem (CID 104548350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).