oxan-2-ylmethyl 3-aminopropanoate

C9H17NO3 — CID 61279646

IUPACoxan-2-ylmethyl 3-aminopropanoate
SMILESNCCC(=O)OCC1CCCCO1
InChIInChI=1S/C9H17NO3/c10-5-4-9(11)13-7-8-3-1-2-6-12-8/h8H,1-7,10H2
InChIKeyYAPLFGJIMFTMLG-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.45
Rot. Bonds4

About oxan-2-ylmethyl 3-aminopropanoate

oxan-2-ylmethyl 3-aminopropanoate (PubChem CID 61279646) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is oxan-2-ylmethyl 3-aminopropanoate.

Molecular Properties

Compound Nameoxan-2-ylmethyl 3-aminopropanoate
PubChem CID61279646
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameoxan-2-ylmethyl 3-aminopropanoate
SMILESNCCC(=O)OCC1CCCCO1
InChIInChI=1S/C9H17NO3/c10-5-4-9(11)13-7-8-3-1-2-6-12-8/h8H,1-7,10H2
InChIKeyYAPLFGJIMFTMLG-UHFFFAOYSA-N
XLogP0.45
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347
oxan-2-ylmethyl 3-(oxolan-2-ylmethoxy)propanoate
CID 78885532
oxan-2-ylmethyl 2-cyclopentylacetate
CID 78788812
oxan-2-ylmethyl 4-phenoxybutanoate
CID 78788814
oxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate
CID 174653429
oxan-2-ylmethyl 4-amino-3-methoxybutanoate
CID 103158081
oxan-2-ylmethyl 3-phenylsulfanylpropanoate
CID 78788879
oxan-2-ylmethyl 2-cyclohexyloxyacetate
CID 78888478
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
oxan-2-ylmethyl 4-thiophen-2-ylbutanoate
CID 78790137
oxan-2-ylmethyl 2-(1-aminocyclopentyl)acetate
CID 64700220
oxan-2-ylmethyl 6-acetamidohexanoate
CID 134050656

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethyl 3-aminopropanoate?
The IUPAC name of oxan-2-ylmethyl 3-aminopropanoate (CID 61279646) is oxan-2-ylmethyl 3-aminopropanoate.
What is the SMILES notation for oxan-2-ylmethyl 3-aminopropanoate?
The canonical SMILES for oxan-2-ylmethyl 3-aminopropanoate is NCCC(=O)OCC1CCCCO1.
What is the InChIKey of oxan-2-ylmethyl 3-aminopropanoate?
The InChIKey is YAPLFGJIMFTMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c10-5-4-9(11)13-7-8-3-1-2-6-12-8/h8H,1-7,10H2.
What are the key properties of oxan-2-ylmethyl 3-aminopropanoate?
oxan-2-ylmethyl 3-aminopropanoate has a molecular weight of 187.24 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylmethyl 3-aminopropanoate is sourced from PubChem (CID 61279646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).