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

C13H26N2O4 — CID 79385556

IUPAC2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)N(CC)CC(C)(C)O)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-6-8-13(5,10(16)17)14-11(18)15(7-2)9-12(3,4)19/h19H,6-9H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyCRGUEMMDGBJOSV-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.43
Rot. Bonds7

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

2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylpentanoic acid (PubChem CID 79385556) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylpentanoic acid
PubChem CID79385556
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)N(CC)CC(C)(C)O)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-6-8-13(5,10(16)17)14-11(18)15(7-2)9-12(3,4)19/h19H,6-9H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyCRGUEMMDGBJOSV-UHFFFAOYSA-N
XLogP1.43
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800793
2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 61447381
3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 79386469
3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]propanoic acid
CID 79386088
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid
CID 55009806
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-oxopropanoic acid
CID 79385431
2-[[cyclopentyl(methyl)carbamoyl]amino]-2-methylpentanoic acid
CID 61194709
2-[(3-hydroxy-3-methylbutyl)amino]-2-methylpentanoic acid
CID 79355808
2-[(2-aminoacetyl)amino]-2-methylpentanoic acid
CID 61159879
2-(dibutylcarbamoylamino)-2-methylbutanoic acid
CID 79798187
3-cyclohexyl-1-ethyl-1-(2-hydroxy-2-methylpropyl)urea
CID 79386772
2-methyl-2-(2-methylbutanoylamino)pentanoic acid
CID 43618557

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylpentanoic acid (CID 79385556) is 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)N(CC)CC(C)(C)O)C(=O)O.
What is the InChIKey of 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylpentanoic acid?
The InChIKey is CRGUEMMDGBJOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-6-8-13(5,10(16)17)14-11(18)15(7-2)9-12(3,4)19/h19H,6-9H2,1-5H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylpentanoic acid?
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylpentanoic acid has a molecular weight of 274.36 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 79385556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).