4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]butanoic acid

C11H21N3O4 — CID 43375399

IUPAC4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]butanoic acid
SMILESCN(C)C(=O)CN(C)C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C11H21N3O4/c1-12(2)9(15)8-14(4)11(18)13(3)7-5-6-10(16)17/h5-8H2,1-4H3,(H,16,17)
InChIKeyKAOCMFGRNUMKMJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.08
Rot. Bonds6

About 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]butanoic acid

4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]butanoic acid (PubChem CID 43375399) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]butanoic acid
PubChem CID43375399
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]butanoic acid
SMILESCN(C)C(=O)CN(C)C(=O)N(C)CCCC(=O)O
InChIInChI=1S/C11H21N3O4/c1-12(2)9(15)8-14(4)11(18)13(3)7-5-6-10(16)17/h5-8H2,1-4H3,(H,16,17)
InChIKeyKAOCMFGRNUMKMJ-UHFFFAOYSA-N
XLogP-0.08
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]butanoic acid (CID 43375399) is 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]butanoic acid is CN(C)C(=O)CN(C)C(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]butanoic acid?
The InChIKey is KAOCMFGRNUMKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-12(2)9(15)8-14(4)11(18)13(3)7-5-6-10(16)17/h5-8H2,1-4H3,(H,16,17).
What are the key properties of 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]butanoic acid?
4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]butanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]butanoic acid is sourced from PubChem (CID 43375399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).