2-hydroxy-2-methyl-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid

C9H17N3O5 — CID 66177198

IUPAC2-hydroxy-2-methyl-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
SMILESCNC(=O)CN(C)C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C9H17N3O5/c1-9(17,7(14)15)5-11-8(16)12(3)4-6(13)10-2/h17H,4-5H2,1-3H3,(H,10,13)(H,11,16)(H,14,15)
InChIKeyMEGGZEUSZLTEDL-UHFFFAOYSA-N
MW247.25 g/mol
LogP-1.79
Rot. Bonds5

About 2-hydroxy-2-methyl-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid

2-hydroxy-2-methyl-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid (PubChem CID 66177198) has the molecular formula C9H17N3O5 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
PubChem CID66177198
Molecular FormulaC9H17N3O5
Molecular Weight247.25 g/mol
Exact Mass247.12
IUPAC Name2-hydroxy-2-methyl-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
SMILESCNC(=O)CN(C)C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C9H17N3O5/c1-9(17,7(14)15)5-11-8(16)12(3)4-6(13)10-2/h17H,4-5H2,1-3H3,(H,10,13)(H,11,16)(H,14,15)
InChIKeyMEGGZEUSZLTEDL-UHFFFAOYSA-N
XLogP-1.79
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-1.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 66173046
2-hydroxy-2-methyl-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 66175927
3-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176598
2-hydroxy-2-methyl-3-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]propanoic acid
CID 112662584
2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
CID 66177000
2-hydroxy-2-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 66176562
3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428599
3,3,3-trifluoro-2-methyl-2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
CID 79801254
3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176137
2-methoxy-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
CID 106109727
3-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 79386469
2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-methylpropanoic acid
CID 66175740

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid (CID 66177198) is 2-hydroxy-2-methyl-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid is CNC(=O)CN(C)C(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid?
The InChIKey is MEGGZEUSZLTEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O5/c1-9(17,7(14)15)5-11-8(16)12(3)4-6(13)10-2/h17H,4-5H2,1-3H3,(H,10,13)(H,11,16)(H,14,15).
What are the key properties of 2-hydroxy-2-methyl-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid?
2-hydroxy-2-methyl-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid has a molecular weight of 247.25 g/mol, XLogP of -1.79, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid is sourced from PubChem (CID 66177198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).