3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid

C10H18N2O4 — CID 63361423

IUPAC3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)NC1CCCOC1
InChIInChI=1S/C10H18N2O4/c1-12(5-4-9(13)14)10(15)11-8-3-2-6-16-7-8/h8H,2-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyGZBIQQPUNQWURO-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.28
Rot. Bonds4

About 3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid

3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid (PubChem CID 63361423) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid
PubChem CID63361423
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)NC1CCCOC1
InChIInChI=1S/C10H18N2O4/c1-12(5-4-9(13)14)10(15)11-8-3-2-6-16-7-8/h8H,2-7H2,1H3,(H,11,15)(H,13,14)
InChIKeyGZBIQQPUNQWURO-UHFFFAOYSA-N
XLogP0.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid?
The IUPAC name of 3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid (CID 63361423) is 3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid is CN(CCC(=O)O)C(=O)NC1CCCOC1.
What is the InChIKey of 3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid?
The InChIKey is GZBIQQPUNQWURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-12(5-4-9(13)14)10(15)11-8-3-2-6-16-7-8/h8H,2-7H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid?
3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 63361423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).