2-hydroxy-2-methyl-3-(4-methylpentan-2-ylcarbamoylamino)propanoic acid

C11H22N2O4 — CID 66176778

IUPAC2-hydroxy-2-methyl-3-(4-methylpentan-2-ylcarbamoylamino)propanoic acid
SMILESCC(C)CC(C)NC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-7(2)5-8(3)13-10(16)12-6-11(4,17)9(14)15/h7-8,17H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16)
InChIKeyLWIVUZXWDWNESD-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.56
Rot. Bonds6

About 2-hydroxy-2-methyl-3-(4-methylpentan-2-ylcarbamoylamino)propanoic acid

2-hydroxy-2-methyl-3-(4-methylpentan-2-ylcarbamoylamino)propanoic acid (PubChem CID 66176778) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(4-methylpentan-2-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(4-methylpentan-2-ylcarbamoylamino)propanoic acid
PubChem CID66176778
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-hydroxy-2-methyl-3-(4-methylpentan-2-ylcarbamoylamino)propanoic acid
SMILESCC(C)CC(C)NC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-7(2)5-8(3)13-10(16)12-6-11(4,17)9(14)15/h7-8,17H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16)
InChIKeyLWIVUZXWDWNESD-UHFFFAOYSA-N
XLogP0.56
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-3-(4-methylhexan-2-ylcarbamoylamino)propanoic acid
CID 66177031
3-(butan-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173440
3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 82938494
3-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66177641
2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid
CID 66172744
3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66175537
3-[1-(4-bromophenyl)ethylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66175941
2-hydroxy-2-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)carbamoylamino]propanoic acid
CID 66177213
3-methyl-2-(4-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 61198782
2-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid
CID 104644120
2-methyl-4-(4-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 80540549
(2R)-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid
CID 78972526

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(4-methylpentan-2-ylcarbamoylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(4-methylpentan-2-ylcarbamoylamino)propanoic acid (CID 66176778) is 2-hydroxy-2-methyl-3-(4-methylpentan-2-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(4-methylpentan-2-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(4-methylpentan-2-ylcarbamoylamino)propanoic acid is CC(C)CC(C)NC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(4-methylpentan-2-ylcarbamoylamino)propanoic acid?
The InChIKey is LWIVUZXWDWNESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-7(2)5-8(3)13-10(16)12-6-11(4,17)9(14)15/h7-8,17H,5-6H2,1-4H3,(H,14,15)(H2,12,13,16).
What are the key properties of 2-hydroxy-2-methyl-3-(4-methylpentan-2-ylcarbamoylamino)propanoic acid?
2-hydroxy-2-methyl-3-(4-methylpentan-2-ylcarbamoylamino)propanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.56, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(4-methylpentan-2-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 66176778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).