2-methoxy-3-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid

C11H22N2O4 — CID 106109710

IUPAC2-methoxy-3-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid
SMILESCCCN(C(=O)NCC(OC)C(=O)O)C(C)C
InChIInChI=1S/C11H22N2O4/c1-5-6-13(8(2)3)11(16)12-7-9(17-4)10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyMLSOWWLFRKLQBZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.92
Rot. Bonds7

About 2-methoxy-3-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid

2-methoxy-3-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid (PubChem CID 106109710) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methoxy-3-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid
PubChem CID106109710
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-methoxy-3-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid
SMILESCCCN(C(=O)NCC(OC)C(=O)O)C(C)C
InChIInChI=1S/C11H22N2O4/c1-5-6-13(8(2)3)11(16)12-7-9(17-4)10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyMLSOWWLFRKLQBZ-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

3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106109959
2-methylpropanoic acid;1-propan-2-yl-1,3-dipropylurea
CID 88699422
2-methoxy-3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 106109760
(2R)-2-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid
CID 78972056
3-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106109985
3-[bis(2-amino-2-oxoethyl)carbamoylamino]-2-methoxypropanoic acid
CID 114144690
3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 106109941
3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid
CID 106109032
3-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 114144627
2-methoxy-3-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]propanoic acid
CID 106110731
3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 106109940
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 114144655

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid (CID 106109710) is 2-methoxy-3-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid is CCCN(C(=O)NCC(OC)C(=O)O)C(C)C.
What is the InChIKey of 2-methoxy-3-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid?
The InChIKey is MLSOWWLFRKLQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-5-6-13(8(2)3)11(16)12-7-9(17-4)10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15).
What are the key properties of 2-methoxy-3-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid?
2-methoxy-3-[[propan-2-yl(propyl)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 2-methoxy-3-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 106109710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).