2-hydroxy-2-methyl-3-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid

C13H26N2O4 — CID 66177435

IUPAC2-hydroxy-2-methyl-3-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid
SMILESCC(C)(C)CC(C)(C)NC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-11(2,3)7-12(4,5)15-10(18)14-8-13(6,19)9(16)17/h19H,7-8H2,1-6H3,(H,16,17)(H2,14,15,18)
InChIKeyBJBJMVLOXLUVNI-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.34
Rot. Bonds5

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

2-hydroxy-2-methyl-3-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid (PubChem CID 66177435) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid
PubChem CID66177435
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name2-hydroxy-2-methyl-3-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid
SMILESCC(C)(C)CC(C)(C)NC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C13H26N2O4/c1-11(2,3)7-12(4,5)15-10(18)14-8-13(6,19)9(16)17/h19H,7-8H2,1-6H3,(H,16,17)(H2,14,15,18)
InChIKeyBJBJMVLOXLUVNI-UHFFFAOYSA-N
XLogP1.34
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-3-(2-methylbut-3-yn-2-ylcarbamoylamino)propanoic acid
CID 66175118
1-tert-butyl-3-(2,4,4-trimethylpentan-2-yl)urea
CID 58798763
2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid
CID 66173456
2-hydroxy-2-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 66176562
3,3,3-trifluoro-2-methyl-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid
CID 79788617
2-hydroxy-2-methyl-3-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 114618091
2-(2,2-dimethylpropylcarbamoylamino)-2-methylpropanoic acid
CID 61266743
4-methyl-4-(2,4,4-trimethylpentan-2-ylcarbamoylamino)pentanoic acid
CID 62049861
3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66176563
3-(butan-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173440
3-[(4,4-dimethylcyclohexyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66176817
3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173185

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid (CID 66177435) is 2-hydroxy-2-methyl-3-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid is CC(C)(C)CC(C)(C)NC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid?
The InChIKey is BJBJMVLOXLUVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-11(2,3)7-12(4,5)15-10(18)14-8-13(6,19)9(16)17/h19H,7-8H2,1-6H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-hydroxy-2-methyl-3-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid?
2-hydroxy-2-methyl-3-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid has a molecular weight of 274.36 g/mol, XLogP of 1.34, 5 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-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 66177435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).