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

C12H24N2O4 — CID 79386168

IUPAC3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-methylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)(C)O)C(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-6-14(8-12(3,4)18)11(17)13(5)7-9(2)10(15)16/h9,18H,6-8H2,1-5H3,(H,15,16)
InChIKeyJQSXJDUWMRBXCY-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.85
Rot. Bonds6

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

3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-methylamino]-2-methylpropanoic acid (PubChem CID 79386168) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-methylamino]-2-methylpropanoic acid
PubChem CID79386168
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-methylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)(C)O)C(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-6-14(8-12(3,4)18)11(17)13(5)7-9(2)10(15)16/h9,18H,6-8H2,1-5H3,(H,15,16)
InChIKeyJQSXJDUWMRBXCY-UHFFFAOYSA-N
XLogP0.85
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[cyclobutylmethyl(ethyl)carbamoyl]-methylamino]-2-methylpropanoic acid
CID 107400167
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 79385927
3-[ethyl(3,4,4-trimethylpentanoyl)amino]-2-methylpropanoic acid
CID 63834633
3-chloro-N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 79389720
3-[[butan-2-yl(methyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62853736
3-[ethyl-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methylpropanoic acid
CID 62852484
N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 79387562
3-[2,2-dimethylpropyl(ethyl)amino]-2-methylpropanoic acid
CID 65061319
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-sulfanylpropanamide
CID 107032116
2-methyl-3-[methyl(2,3,3-trimethylbutanoyl)amino]propanoic acid
CID 120687256
2-methyl-3-[methyl-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid
CID 112662858
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2-methylbutanoic acid
CID 79414186

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-methylamino]-2-methylpropanoic acid (CID 79386168) is 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-methylamino]-2-methylpropanoic acid is CCN(CC(C)(C)O)C(=O)N(C)CC(C)C(=O)O.
What is the InChIKey of 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is JQSXJDUWMRBXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-6-14(8-12(3,4)18)11(17)13(5)7-9(2)10(15)16/h9,18H,6-8H2,1-5H3,(H,15,16).
What are the key properties of 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-methylamino]-2-methylpropanoic acid?
3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 260.33 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 79386168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).