2-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]-ethylamino]-2-methylpropanoic acid

C14H27N3O4 — CID 62820272

IUPAC2-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]-ethylamino]-2-methylpropanoic acid
SMILESCCCN(CC(=O)N(C)C)C(=O)N(CC)C(C)(C)C(=O)O
InChIInChI=1S/C14H27N3O4/c1-7-9-16(10-11(18)15(5)6)13(21)17(8-2)14(3,4)12(19)20/h7-10H2,1-6H3,(H,19,20)
InChIKeyXQVQIIDSGBDSED-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.09
Rot. Bonds7

About 2-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]-ethylamino]-2-methylpropanoic acid

2-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]-ethylamino]-2-methylpropanoic acid (PubChem CID 62820272) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]-ethylamino]-2-methylpropanoic acid
PubChem CID62820272
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name2-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]-ethylamino]-2-methylpropanoic acid
SMILESCCCN(CC(=O)N(C)C)C(=O)N(CC)C(C)(C)C(=O)O
InChIInChI=1S/C14H27N3O4/c1-7-9-16(10-11(18)15(5)6)13(21)17(8-2)14(3,4)12(19)20/h7-10H2,1-6H3,(H,19,20)
InChIKeyXQVQIIDSGBDSED-UHFFFAOYSA-N
XLogP1.09
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]-ethylamino]-2-methylpropanoic acid (CID 62820272) is 2-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]-ethylamino]-2-methylpropanoic acid is CCCN(CC(=O)N(C)C)C(=O)N(CC)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]-ethylamino]-2-methylpropanoic acid?
The InChIKey is XQVQIIDSGBDSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-7-9-16(10-11(18)15(5)6)13(21)17(8-2)14(3,4)12(19)20/h7-10H2,1-6H3,(H,19,20).
What are the key properties of 2-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]-ethylamino]-2-methylpropanoic acid?
2-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]-ethylamino]-2-methylpropanoic acid has a molecular weight of 301.39 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62820272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).