4-(hexan-2-ylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid

C12H24N2O4 — CID 66001833

IUPAC4-(hexan-2-ylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
SMILESCCCCC(C)NC(=O)NCC(C)(O)CC(=O)O
InChIInChI=1S/C12H24N2O4/c1-4-5-6-9(2)14-11(17)13-8-12(3,18)7-10(15)16/h9,18H,4-8H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyUCXABUWVLKYJSG-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.09
Rot. Bonds8

About 4-(hexan-2-ylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid

4-(hexan-2-ylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid (PubChem CID 66001833) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 4-(hexan-2-ylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-(hexan-2-ylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
PubChem CID66001833
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name4-(hexan-2-ylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
SMILESCCCCC(C)NC(=O)NCC(C)(O)CC(=O)O
InChIInChI=1S/C12H24N2O4/c1-4-5-6-9(2)14-11(17)13-8-12(3,18)7-10(15)16/h9,18H,4-8H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyUCXABUWVLKYJSG-UHFFFAOYSA-N
XLogP1.09
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4-[(4-methoxy-4-oxobutan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 114283963
3-hydroxy-3-methyl-4-(1-methylsulfonylpropan-2-ylcarbamoylamino)butanoic acid
CID 66003030
3-hydroxy-3-methyl-4-(2-methylbutylcarbamoylamino)butanoic acid
CID 66003618
3-hydroxy-4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 66002819
3-hydroxy-3-methyl-4-(methylcarbamoylamino)butanoic acid
CID 66003379
3-methyl-3-(octan-2-ylcarbamoylamino)butanoic acid
CID 64700091
4-(3-ethylpentan-3-ylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66003041
3-(butan-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173440
4-[[butyl(methyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66000804
3-hydroxy-3-methyl-4-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]butanoic acid
CID 106038878
1-ethyl-3-[(2S)-octan-2-yl]urea
CID 94866604
1-ethyl-3-octan-2-ylurea
CID 56827686

Frequently Asked Questions

What is the IUPAC name of 4-(hexan-2-ylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-(hexan-2-ylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid (CID 66001833) is 4-(hexan-2-ylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-(hexan-2-ylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-(hexan-2-ylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid is CCCCC(C)NC(=O)NCC(C)(O)CC(=O)O.
What is the InChIKey of 4-(hexan-2-ylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid?
The InChIKey is UCXABUWVLKYJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-4-5-6-9(2)14-11(17)13-8-12(3,18)7-10(15)16/h9,18H,4-8H2,1-3H3,(H,15,16)(H2,13,14,17).
What are the key properties of 4-(hexan-2-ylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid?
4-(hexan-2-ylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.09, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexan-2-ylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 66001833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).