2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid

C10H20N2O4 — CID 79800841

IUPAC2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)N(C)CC(C)O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-5-10(3,8(14)15)11-9(16)12(4)6-7(2)13/h7,13H,5-6H2,1-4H3,(H,11,16)(H,14,15)
InChIKeyRASJAIRWGQKTIB-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.26
Rot. Bonds5

About 2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid

2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid (PubChem CID 79800841) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
PubChem CID79800841
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)N(C)CC(C)O)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-5-10(3,8(14)15)11-9(16)12(4)6-7(2)13/h7,13H,5-6H2,1-4H3,(H,11,16)(H,14,15)
InChIKeyRASJAIRWGQKTIB-UHFFFAOYSA-N
XLogP0.26
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[[methyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 79800950
2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 79800977
2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801986
2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 79801349
2-[[cyclopropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801490
2-methyl-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 79800918
2-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79800793
2-(dibutylcarbamoylamino)-2-methylbutanoic acid
CID 79798187
2,2,3-trimethyl-3-[[methyl(2-methylbutyl)carbamoyl]amino]butanoic acid
CID 65265849
2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 79801521
(2S)-2-acetamido-2-methylbutanoic acid
CID 71355971
2-[[(4-methoxyphenyl)methyl-methylcarbamoyl]amino]-2-methylbutanoic acid
CID 79791741

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid?
The IUPAC name of 2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid (CID 79800841) is 2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid is CCC(C)(NC(=O)N(C)CC(C)O)C(=O)O.
What is the InChIKey of 2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid?
The InChIKey is RASJAIRWGQKTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-5-10(3,8(14)15)11-9(16)12(4)6-7(2)13/h7,13H,5-6H2,1-4H3,(H,11,16)(H,14,15).
What are the key properties of 2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid?
2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxypropyl(methyl)carbamoyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 79800841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).