3-(oxan-3-ylcarbamoylamino)butanoic acid

C10H18N2O4 — CID 63361778

IUPAC3-(oxan-3-ylcarbamoylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)NC1CCCOC1
InChIInChI=1S/C10H18N2O4/c1-7(5-9(13)14)11-10(15)12-8-3-2-4-16-6-8/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyHPUCYQVQCSNJSY-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.33
Rot. Bonds4

About 3-(oxan-3-ylcarbamoylamino)butanoic acid

3-(oxan-3-ylcarbamoylamino)butanoic acid (PubChem CID 63361778) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-(oxan-3-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name3-(oxan-3-ylcarbamoylamino)butanoic acid
PubChem CID63361778
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-(oxan-3-ylcarbamoylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)NC1CCCOC1
InChIInChI=1S/C10H18N2O4/c1-7(5-9(13)14)11-10(15)12-8-3-2-4-16-6-8/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyHPUCYQVQCSNJSY-UHFFFAOYSA-N
XLogP0.33
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(oxan-3-ylcarbamoylamino)methyl]pentanoic acid
CID 81069079
3-(oxane-3-carbonylamino)butanoic acid
CID 62759193
2-hydroxy-3-(oxan-3-ylcarbamoylamino)propanoic acid
CID 66164936
4-(oxan-3-ylcarbamoylamino)butanoic acid
CID 63361595
oxan-3-ylcarbamic acid
CID 68631624
[(3S)-oxan-3-yl]carbamic acid
CID 141364908
2-methyl-2-(oxan-3-ylcarbamoylamino)butanoic acid
CID 79801618
3-[(4-ethylcyclohexyl)carbamoylamino]butanoic acid
CID 54955248
5-(cyclobutylcarbamoylamino)hexanoic acid
CID 82848345
5-(oxan-4-ylcarbamoylamino)hexanoic acid
CID 82844829
2-[methyl(oxan-3-ylcarbamoyl)amino]propanoic acid
CID 63361910
N-(oxan-3-yl)acetamide
CID 55285282

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-ylcarbamoylamino)butanoic acid?
The IUPAC name of 3-(oxan-3-ylcarbamoylamino)butanoic acid (CID 63361778) is 3-(oxan-3-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 3-(oxan-3-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 3-(oxan-3-ylcarbamoylamino)butanoic acid is CC(CC(=O)O)NC(=O)NC1CCCOC1.
What is the InChIKey of 3-(oxan-3-ylcarbamoylamino)butanoic acid?
The InChIKey is HPUCYQVQCSNJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7(5-9(13)14)11-10(15)12-8-3-2-4-16-6-8/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 3-(oxan-3-ylcarbamoylamino)butanoic acid?
3-(oxan-3-ylcarbamoylamino)butanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 63361778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).