2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid

C12H24N2O4 — CID 62821665

IUPAC2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
SMILESCCCCN(CCO)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-5-6-7-14(8-9-15)11(18)13(4)12(2,3)10(16)17/h15H,5-9H2,1-4H3,(H,16,17)
InChIKeyFLJBCAHQDISROW-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.00
Rot. Bonds7

About 2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid

2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid (PubChem CID 62821665) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
PubChem CID62821665
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
SMILESCCCCN(CCO)C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-5-6-7-14(8-9-15)11(18)13(4)12(2,3)10(16)17/h15H,5-9H2,1-4H3,(H,16,17)
InChIKeyFLJBCAHQDISROW-UHFFFAOYSA-N
XLogP1.00
TPSA81.08 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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid (CID 62821665) is 2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid is CCCCN(CCO)C(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is FLJBCAHQDISROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-5-6-7-14(8-9-15)11(18)13(4)12(2,3)10(16)17/h15H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butyl(2-hydroxyethyl)carbamoyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62821665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).