3-(oxane-3-carbonylamino)butanoic acid

C10H17NO4 — CID 62759193

IUPAC3-(oxane-3-carbonylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCCOC1
InChIInChI=1S/C10H17NO4/c1-7(5-9(12)13)11-10(14)8-3-2-4-15-6-8/h7-8H,2-6H2,1H3,(H,11,14)(H,12,13)
InChIKeyAVFBBEWZESONHW-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.39
Rot. Bonds4

About 3-(oxane-3-carbonylamino)butanoic acid

3-(oxane-3-carbonylamino)butanoic acid (PubChem CID 62759193) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(oxane-3-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-(oxane-3-carbonylamino)butanoic acid
PubChem CID62759193
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name3-(oxane-3-carbonylamino)butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1CCCOC1
InChIInChI=1S/C10H17NO4/c1-7(5-9(12)13)11-10(14)8-3-2-4-15-6-8/h7-8H,2-6H2,1H3,(H,11,14)(H,12,13)
InChIKeyAVFBBEWZESONHW-UHFFFAOYSA-N
XLogP0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]oxane-3-carboxamide
CID 104873146
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
N-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide
CID 62093159
3-methyl-2-(oxane-3-carbonylamino)butanoic acid
CID 62758810
(2S)-3-methyl-2-(oxane-3-carbonylamino)butanoic acid
CID 62759763
3-(oxan-3-ylcarbamoylamino)butanoic acid
CID 63361778
4-amino-2-(oxane-3-carbonylamino)-4-oxobutanoic acid
CID 55110091
3-(piperidine-3-carbonylamino)butanoic acid
CID 61161193
3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]butanoic acid
CID 119221469
3-(bicyclo[3.1.0]hexane-6-carbonylamino)butanoic acid
CID 81455937
(3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide
CID 169193374
2-methyl-4-(oxan-3-yl)-4-oxobutanoic acid
CID 63738780

Frequently Asked Questions

What is the IUPAC name of 3-(oxane-3-carbonylamino)butanoic acid?
The IUPAC name of 3-(oxane-3-carbonylamino)butanoic acid (CID 62759193) is 3-(oxane-3-carbonylamino)butanoic acid.
What is the SMILES notation for 3-(oxane-3-carbonylamino)butanoic acid?
The canonical SMILES for 3-(oxane-3-carbonylamino)butanoic acid is CC(CC(=O)O)NC(=O)C1CCCOC1.
What is the InChIKey of 3-(oxane-3-carbonylamino)butanoic acid?
The InChIKey is AVFBBEWZESONHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7(5-9(12)13)11-10(14)8-3-2-4-15-6-8/h7-8H,2-6H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 3-(oxane-3-carbonylamino)butanoic acid?
3-(oxane-3-carbonylamino)butanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxane-3-carbonylamino)butanoic acid is sourced from PubChem (CID 62759193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).