3-methoxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]propanoic acid

C11H20N2O6 — CID 81083929

IUPAC3-methoxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]propanoic acid
SMILESCOCC(NC(=O)NC(C(=O)OC)C(C)C)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-6(2)8(10(16)19-4)13-11(17)12-7(5-18-3)9(14)15/h6-8H,5H2,1-4H3,(H,14,15)(H2,12,13,17)
InChIKeyZJBWYTJTOYOGDA-UHFFFAOYSA-N
MW276.29 g/mol
LogP-0.42
Rot. Bonds7

About 3-methoxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]propanoic acid

3-methoxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]propanoic acid (PubChem CID 81083929) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-methoxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]propanoic acid
PubChem CID81083929
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name3-methoxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]propanoic acid
SMILESCOCC(NC(=O)NC(C(=O)OC)C(C)C)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-6(2)8(10(16)19-4)13-11(17)12-7(5-18-3)9(14)15/h6-8H,5H2,1-4H3,(H,14,15)(H2,12,13,17)
InChIKeyZJBWYTJTOYOGDA-UHFFFAOYSA-N
XLogP-0.42
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-hydroxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]butanoic acid
CID 107827176
(2R)-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 104910165
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methoxypropanoic acid
CID 81085433
3-methoxy-2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 81085452
2-(butan-2-ylcarbamoylamino)-3-methoxypropanoic acid
CID 81084433
methyl 3-methyl-2-(propan-2-ylcarbamoylamino)butanoate
CID 4662809
methyl (2S)-2-[(2-amino-3-methoxypropanoyl)amino]-3-methylbutanoate
CID 81083004
2-(ethylcarbamoylamino)-3-methoxypropanoic acid
CID 81076919
2-[(3-methoxy-2-methylpropanoyl)amino]-3-methylbutanoic acid
CID 119170014
(2R)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 79010313
(2R)-2-(carbonochloridoylamino)-3-methoxypropanoic acid
CID 131230342
2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]butanoic acid
CID 115352711

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]propanoic acid?
The IUPAC name of 3-methoxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]propanoic acid (CID 81083929) is 3-methoxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]propanoic acid is COCC(NC(=O)NC(C(=O)OC)C(C)C)C(=O)O.
What is the InChIKey of 3-methoxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]propanoic acid?
The InChIKey is ZJBWYTJTOYOGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-6(2)8(10(16)19-4)13-11(17)12-7(5-18-3)9(14)15/h6-8H,5H2,1-4H3,(H,14,15)(H2,12,13,17).
What are the key properties of 3-methoxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]propanoic acid?
3-methoxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]propanoic acid has a molecular weight of 276.29 g/mol, XLogP of -0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 81083929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).