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

C12H24N2O4 — CID 66177031

IUPAC2-hydroxy-2-methyl-3-(4-methylhexan-2-ylcarbamoylamino)propanoic acid
SMILESCCC(C)CC(C)NC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-5-8(2)6-9(3)14-11(17)13-7-12(4,18)10(15)16/h8-9,18H,5-7H2,1-4H3,(H,15,16)(H2,13,14,17)
InChIKeyUKMGFEWQWWYCNV-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.95
Rot. Bonds7

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

2-hydroxy-2-methyl-3-(4-methylhexan-2-ylcarbamoylamino)propanoic acid (PubChem CID 66177031) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(4-methylhexan-2-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(4-methylhexan-2-ylcarbamoylamino)propanoic acid
PubChem CID66177031
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-hydroxy-2-methyl-3-(4-methylhexan-2-ylcarbamoylamino)propanoic acid
SMILESCCC(C)CC(C)NC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-5-8(2)6-9(3)14-11(17)13-7-12(4,18)10(15)16/h8-9,18H,5-7H2,1-4H3,(H,15,16)(H2,13,14,17)
InChIKeyUKMGFEWQWWYCNV-UHFFFAOYSA-N
XLogP0.95
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(butan-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173440
2-hydroxy-2-methyl-3-(4-methylpentan-2-ylcarbamoylamino)propanoic acid
CID 66176778
2-hydroxy-2-methyl-3-(4-methylhexan-2-ylamino)propanoic acid
CID 104644649
3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 82938494
(2S)-2-hydroxy-3-(4-methylhexan-2-ylcarbamoylamino)propanoic acid
CID 107840287
5-(4-methylhexan-2-ylcarbamoylamino)hexanoic acid
CID 82848355
3-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66177641
(2S)-2-hydroxy-4-(4-methylhexan-2-ylcarbamoylamino)butanoic acid
CID 107840286
3-[[2-(butan-2-ylamino)acetyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175333
3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66175537
3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176137
3-[1-(4-bromophenyl)ethylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66175941

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(4-methylhexan-2-ylcarbamoylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(4-methylhexan-2-ylcarbamoylamino)propanoic acid (CID 66177031) is 2-hydroxy-2-methyl-3-(4-methylhexan-2-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(4-methylhexan-2-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(4-methylhexan-2-ylcarbamoylamino)propanoic acid is CCC(C)CC(C)NC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(4-methylhexan-2-ylcarbamoylamino)propanoic acid?
The InChIKey is UKMGFEWQWWYCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-5-8(2)6-9(3)14-11(17)13-7-12(4,18)10(15)16/h8-9,18H,5-7H2,1-4H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-hydroxy-2-methyl-3-(4-methylhexan-2-ylcarbamoylamino)propanoic acid?
2-hydroxy-2-methyl-3-(4-methylhexan-2-ylcarbamoylamino)propanoic acid has a molecular weight of 260.33 g/mol, XLogP of 0.95, 7 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-methylhexan-2-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 66177031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).