3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid

C11H22N2O5 — CID 79386469

IUPAC3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCCN(CC(C)(C)O)C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C11H22N2O5/c1-5-13(7-10(2,3)17)9(16)12-6-11(4,18)8(14)15/h17-18H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyJZWISEDZKZFDOT-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.38
Rot. Bonds6

About 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid

3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 79386469) has the molecular formula C11H22N2O5 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
PubChem CID79386469
Molecular FormulaC11H22N2O5
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Name3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
SMILESCCN(CC(C)(C)O)C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C11H22N2O5/c1-5-13(7-10(2,3)17)9(16)12-6-11(4,18)8(14)15/h17-18H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyJZWISEDZKZFDOT-UHFFFAOYSA-N
XLogP-0.38
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid (CID 79386469) is 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid is CCN(CC(C)(C)O)C(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is JZWISEDZKZFDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5/c1-5-13(7-10(2,3)17)9(16)12-6-11(4,18)8(14)15/h17-18H,5-7H2,1-4H3,(H,12,16)(H,14,15).
What are the key properties of 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid?
3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 262.31 g/mol, XLogP of -0.38, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 79386469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).