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

C10H19N3O4 — CID 43311112

IUPAC4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-methylamino]butanoic acid
SMILESCN(C)C(=O)CNC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C10H19N3O4/c1-12(2)8(14)7-11-10(17)13(3)6-4-5-9(15)16/h4-7H2,1-3H3,(H,11,17)(H,15,16)
InChIKeySPLBQVUWYVWGSH-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.42
Rot. Bonds6

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

4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-methylamino]butanoic acid (PubChem CID 43311112) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-methylamino]butanoic acid
PubChem CID43311112
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-methylamino]butanoic acid
SMILESCN(C)C(=O)CNC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C10H19N3O4/c1-12(2)8(14)7-11-10(17)13(3)6-4-5-9(15)16/h4-7H2,1-3H3,(H,11,17)(H,15,16)
InChIKeySPLBQVUWYVWGSH-UHFFFAOYSA-N
XLogP-0.42
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-methylamino]butanoic acid?
The IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-methylamino]butanoic acid (CID 43311112) is 4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-methylamino]butanoic acid.
What is the SMILES notation for 4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-methylamino]butanoic acid?
The canonical SMILES for 4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-methylamino]butanoic acid is CN(C)C(=O)CNC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-methylamino]butanoic acid?
The InChIKey is SPLBQVUWYVWGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-12(2)8(14)7-11-10(17)13(3)6-4-5-9(15)16/h4-7H2,1-3H3,(H,11,17)(H,15,16).
What are the key properties of 4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-methylamino]butanoic acid?
4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-methylamino]butanoic acid has a molecular weight of 245.28 g/mol, XLogP of -0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-2-oxoethyl]carbamoyl-methylamino]butanoic acid is sourced from PubChem (CID 43311112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).