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

C12H24N2O4 — CID 79800793

IUPAC2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylbutanoic acid
SMILESCCN(CC(C)(C)O)C(=O)NC(C)(CC)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-6-12(5,9(15)16)13-10(17)14(7-2)8-11(3,4)18/h18H,6-8H2,1-5H3,(H,13,17)(H,15,16)
InChIKeyLNPVWODZTJUAGQ-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.04
Rot. Bonds6

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

2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylbutanoic acid (PubChem CID 79800793) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylbutanoic acid
PubChem CID79800793
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylbutanoic acid
SMILESCCN(CC(C)(C)O)C(=O)NC(C)(CC)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-6-12(5,9(15)16)13-10(17)14(7-2)8-11(3,4)18/h18H,6-8H2,1-5H3,(H,13,17)(H,15,16)
InChIKeyLNPVWODZTJUAGQ-UHFFFAOYSA-N
XLogP1.04
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylpentanoic acid
CID 79385556
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79799061
2-(dibutylcarbamoylamino)-2-methylbutanoic acid
CID 79798187
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
3-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-oxopropanoic acid
CID 79385431
2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid
CID 79789393
(2S)-2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-3-methylpentanoic acid
CID 79386398
2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 79800950
2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801986
2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800841
2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 79801521

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylbutanoic acid (CID 79800793) is 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylbutanoic acid is CCN(CC(C)(C)O)C(=O)NC(C)(CC)C(=O)O.
What is the InChIKey of 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylbutanoic acid?
The InChIKey is LNPVWODZTJUAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-6-12(5,9(15)16)13-10(17)14(7-2)8-11(3,4)18/h18H,6-8H2,1-5H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylbutanoic acid?
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylbutanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.04, 6 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-methylbutanoic acid is sourced from PubChem (CID 79800793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).