2-[(2-ethoxy-2-methylpropyl)carbamoyl-methylamino]butanoic acid

C12H24N2O4 — CID 114943536

IUPAC2-[(2-ethoxy-2-methylpropyl)carbamoyl-methylamino]butanoic acid
SMILESCCOC(C)(C)CNC(=O)N(C)C(CC)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-6-9(10(15)16)14(5)11(17)13-8-12(3,4)18-7-2/h9H,6-8H2,1-5H3,(H,13,17)(H,15,16)
InChIKeyJWVCOJSETXHAHV-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.31
Rot. Bonds7

About 2-[(2-ethoxy-2-methylpropyl)carbamoyl-methylamino]butanoic acid

2-[(2-ethoxy-2-methylpropyl)carbamoyl-methylamino]butanoic acid (PubChem CID 114943536) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[(2-ethoxy-2-methylpropyl)carbamoyl-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[(2-ethoxy-2-methylpropyl)carbamoyl-methylamino]butanoic acid
PubChem CID114943536
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[(2-ethoxy-2-methylpropyl)carbamoyl-methylamino]butanoic acid
SMILESCCOC(C)(C)CNC(=O)N(C)C(CC)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-6-9(10(15)16)14(5)11(17)13-8-12(3,4)18-7-2/h9H,6-8H2,1-5H3,(H,13,17)(H,15,16)
InChIKeyJWVCOJSETXHAHV-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-2-methylpropyl)carbamoyl-methylamino]butanoic acid?
The IUPAC name of 2-[(2-ethoxy-2-methylpropyl)carbamoyl-methylamino]butanoic acid (CID 114943536) is 2-[(2-ethoxy-2-methylpropyl)carbamoyl-methylamino]butanoic acid.
What is the SMILES notation for 2-[(2-ethoxy-2-methylpropyl)carbamoyl-methylamino]butanoic acid?
The canonical SMILES for 2-[(2-ethoxy-2-methylpropyl)carbamoyl-methylamino]butanoic acid is CCOC(C)(C)CNC(=O)N(C)C(CC)C(=O)O.
What is the InChIKey of 2-[(2-ethoxy-2-methylpropyl)carbamoyl-methylamino]butanoic acid?
The InChIKey is JWVCOJSETXHAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-6-9(10(15)16)14(5)11(17)13-8-12(3,4)18-7-2/h9H,6-8H2,1-5H3,(H,13,17)(H,15,16).
What are the key properties of 2-[(2-ethoxy-2-methylpropyl)carbamoyl-methylamino]butanoic acid?
2-[(2-ethoxy-2-methylpropyl)carbamoyl-methylamino]butanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-2-methylpropyl)carbamoyl-methylamino]butanoic acid is sourced from PubChem (CID 114943536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).