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

C12H24N2O4 — CID 55002743

IUPAC3-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]propanoic acid
SMILESCCC(CC)N(CCOC)C(=O)NCCC(=O)O
InChIInChI=1S/C12H24N2O4/c1-4-10(5-2)14(8-9-18-3)12(17)13-7-6-11(15)16/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyOUAIMIKFZBYXGI-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.31
Rot. Bonds9

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

3-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]propanoic acid (PubChem CID 55002743) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 3-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]propanoic acid
PubChem CID55002743
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name3-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]propanoic acid
SMILESCCC(CC)N(CCOC)C(=O)NCCC(=O)O
InChIInChI=1S/C12H24N2O4/c1-4-10(5-2)14(8-9-18-3)12(17)13-7-6-11(15)16/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyOUAIMIKFZBYXGI-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]propanoic acid (CID 55002743) is 3-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]propanoic acid is CCC(CC)N(CCOC)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]propanoic acid?
The InChIKey is OUAIMIKFZBYXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-4-10(5-2)14(8-9-18-3)12(17)13-7-6-11(15)16/h10H,4-9H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 3-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]propanoic acid?
3-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]propanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methoxyethyl(pentan-3-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 55002743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).