4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid

C8H16N2O4 — CID 66002994

IUPAC4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
SMILESCN(C)C(=O)NCC(C)(O)CC(=O)O
InChIInChI=1S/C8H16N2O4/c1-8(14,4-6(11)12)5-9-7(13)10(2)3/h14H,4-5H2,1-3H3,(H,9,13)(H,11,12)
InChIKeyJSECFESMQYUUGY-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.52
Rot. Bonds4

About 4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid

4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid (PubChem CID 66002994) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
PubChem CID66002994
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
SMILESCN(C)C(=O)NCC(C)(O)CC(=O)O
InChIInChI=1S/C8H16N2O4/c1-8(14,4-6(11)12)5-9-7(13)10(2)3/h14H,4-5H2,1-3H3,(H,9,13)(H,11,12)
InChIKeyJSECFESMQYUUGY-UHFFFAOYSA-N
XLogP-0.52
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4-[[2-hydroxypropyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 66002629
4-(dipropylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66001198
4-[[butyl(methyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66000804
3-hydroxy-3-methyl-4-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]butanoic acid
CID 66002435
4-[[butan-2-yl(ethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66002009
3-hydroxy-3-methyl-4-(methylcarbamoylamino)butanoic acid
CID 66003379
3-hydroxy-3-methyl-4-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]butanoic acid
CID 106917289
3-hydroxy-3-methyl-4-[[methyl(piperidin-4-yl)carbamoyl]amino]butanoic acid
CID 66003598
4-[[cyclopropyl(propyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66001609
4-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66002836
3-hydroxy-3-methyl-4-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]butanoic acid
CID 66003800
3-hydroxy-3-methyl-4-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]butanoic acid
CID 106038878

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid (CID 66002994) is 4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid is CN(C)C(=O)NCC(C)(O)CC(=O)O.
What is the InChIKey of 4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid?
The InChIKey is JSECFESMQYUUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-8(14,4-6(11)12)5-9-7(13)10(2)3/h14H,4-5H2,1-3H3,(H,9,13)(H,11,12).
What are the key properties of 4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid?
4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid has a molecular weight of 204.23 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 66002994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).