2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid

C9H18N2O5 — CID 66177000

IUPAC2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCOCCN(C)C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C9H18N2O5/c1-9(15,7(12)13)6-10-8(14)11(2)4-5-16-3/h15H,4-6H2,1-3H3,(H,10,14)(H,12,13)
InChIKeyBIBOTTVAJOQEKU-UHFFFAOYSA-N
MW234.25 g/mol
LogP-0.89
Rot. Bonds6

About 2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid

2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 66177000) has the molecular formula C9H18N2O5 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID66177000
Molecular FormulaC9H18N2O5
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCOCCN(C)C(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C9H18N2O5/c1-9(15,7(12)13)6-10-8(14)11(2)4-5-16-3/h15H,4-6H2,1-3H3,(H,10,14)(H,12,13)
InChIKeyBIBOTTVAJOQEKU-UHFFFAOYSA-N
XLogP-0.89
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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-3-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 66173046
2-hydroxy-2-methyl-3-[[methyl(2-methylsulfanylethyl)carbamoyl]amino]propanoic acid
CID 112662584
2-hydroxy-3-(3-methoxypropanoylamino)-2-methylpropanoic acid
CID 66172346
2-hydroxy-2-methyl-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
CID 66177198
2-hydroxy-3-[2-(2-methoxyethoxy)ethylcarbamoylamino]-2-methylpropanoic acid
CID 66175532
3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176137
2-[[3-methoxypropyl(methyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 62996165
2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-methylpropanoic acid
CID 66175740
(2R)-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 79010163
3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 62997589

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid (CID 66177000) is 2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid is COCCN(C)C(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is BIBOTTVAJOQEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5/c1-9(15,7(12)13)6-10-8(14)11(2)4-5-16-3/h15H,4-6H2,1-3H3,(H,10,14)(H,12,13).
What are the key properties of 2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid?
2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 234.25 g/mol, XLogP of -0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 66177000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).