3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid

C10H21N3O4 — CID 82938494

IUPAC3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(CN(C)C)NC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C10H21N3O4/c1-7(5-13(3)4)12-9(16)11-6-10(2,17)8(14)15/h7,17H,5-6H2,1-4H3,(H,14,15)(H2,11,12,16)
InChIKeyRXUVGHBBKKWSSX-UHFFFAOYSA-N
MW247.29 g/mol
LogP-0.93
Rot. Bonds6

About 3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid

3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 82938494) has the molecular formula C10H21N3O4 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID82938494
Molecular FormulaC10H21N3O4
Molecular Weight247.29 g/mol
Exact Mass247.15
IUPAC Name3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(CN(C)C)NC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C10H21N3O4/c1-7(5-13(3)4)12-9(16)11-6-10(2,17)8(14)15/h7,17H,5-6H2,1-4H3,(H,14,15)(H2,11,12,16)
InChIKeyRXUVGHBBKKWSSX-UHFFFAOYSA-N
XLogP-0.93
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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-ylcarbamoylamino)propanoic acid
CID 66177031
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-methylpropanoic acid
CID 82939623
3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 82949384
ethyl 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetate
CID 11806511
4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 82937416
6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid
CID 82937405
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 82939192
3-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66176563
3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66175537
3-[4-(furan-2-yl)butan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66177641

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid (CID 82938494) is 3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid is CC(CN(C)C)NC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is RXUVGHBBKKWSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4/c1-7(5-13(3)4)12-9(16)11-6-10(2,17)8(14)15/h7,17H,5-6H2,1-4H3,(H,14,15)(H2,11,12,16).
What are the key properties of 3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid?
3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 247.29 g/mol, XLogP of -0.93, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 82938494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).