3-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]propanoic acid

C11H22N2O4 — CID 81083904

IUPAC3-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]propanoic acid
SMILESCCCC(C)N(C)C(=O)NC(COC)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-5-6-8(2)13(3)11(16)12-9(7-17-4)10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyXDJOEXRJUCIDOY-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.92
Rot. Bonds7

About 3-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]propanoic acid

3-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]propanoic acid (PubChem CID 81083904) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]propanoic acid
PubChem CID81083904
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name3-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]propanoic acid
SMILESCCCC(C)N(C)C(=O)NC(COC)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-5-6-8(2)13(3)11(16)12-9(7-17-4)10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyXDJOEXRJUCIDOY-UHFFFAOYSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]butanoic acid
CID 62480432
3-methoxy-2-[[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid
CID 112662945
2-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81081870
2-[[1-methoxypropan-2-yl(methyl)carbamoyl]amino]pentanedioic acid
CID 61452729
(2R)-2-[[methyl(4-methylpentan-2-yl)carbamoyl]amino]pentanoic acid
CID 107566606
2-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81086122
(2R)-2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid
CID 107567559
2-(dipropylcarbamoylamino)-3-methoxypropanoic acid
CID 81084585
2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]pentanoic acid
CID 104553016
3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
CID 81086301
2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81085766
2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81081493

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]propanoic acid (CID 81083904) is 3-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]propanoic acid is CCCC(C)N(C)C(=O)NC(COC)C(=O)O.
What is the InChIKey of 3-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]propanoic acid?
The InChIKey is XDJOEXRJUCIDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-5-6-8(2)13(3)11(16)12-9(7-17-4)10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15).
What are the key properties of 3-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]propanoic acid?
3-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]propanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[[methyl(pentan-2-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 81083904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).