oxolan-2-ylmethyl 3-aminopropanoate

C8H15NO3 — CID 22321347

IUPACoxolan-2-ylmethyl 3-aminopropanoate
SMILESNCCC(=O)OCC1CCCO1
InChIInChI=1S/C8H15NO3/c9-4-3-8(10)12-6-7-2-1-5-11-7/h7H,1-6,9H2
InChIKeyUVDKUYDUFOUOQY-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.06
Rot. Bonds4

About oxolan-2-ylmethyl 3-aminopropanoate

oxolan-2-ylmethyl 3-aminopropanoate (PubChem CID 22321347) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is oxolan-2-ylmethyl 3-aminopropanoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 3-aminopropanoate
PubChem CID22321347
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameoxolan-2-ylmethyl 3-aminopropanoate
SMILESNCCC(=O)OCC1CCCO1
InChIInChI=1S/C8H15NO3/c9-4-3-8(10)12-6-7-2-1-5-11-7/h7H,1-6,9H2
InChIKeyUVDKUYDUFOUOQY-UHFFFAOYSA-N
XLogP0.06
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

oxan-2-ylmethyl 3-aminopropanoate
CID 61279646
oxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate
CID 174653429
oxan-2-ylmethyl 3-(oxolan-2-ylmethoxy)propanoate
CID 78885532
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
1-O-heptyl 5-O-(oxolan-2-ylmethyl) pentanedioate
CID 91695874
1-O-hexyl 5-O-(oxolan-2-ylmethyl) pentanedioate
CID 91695857
oxetan-2-ylmethyl butanoate
CID 150335397
2-oxo-2-(oxolan-2-ylmethoxy)acetic acid
CID 154107225
oxan-2-ylmethyl 2-cyclopentylacetate
CID 78788812
molecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate
CID 158631778
oxolan-2-ylmethyl 3-(3-methylphenyl)propanoate
CID 78833188

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 3-aminopropanoate?
The IUPAC name of oxolan-2-ylmethyl 3-aminopropanoate (CID 22321347) is oxolan-2-ylmethyl 3-aminopropanoate.
What is the SMILES notation for oxolan-2-ylmethyl 3-aminopropanoate?
The canonical SMILES for oxolan-2-ylmethyl 3-aminopropanoate is NCCC(=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 3-aminopropanoate?
The InChIKey is UVDKUYDUFOUOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c9-4-3-8(10)12-6-7-2-1-5-11-7/h7H,1-6,9H2.
What are the key properties of oxolan-2-ylmethyl 3-aminopropanoate?
oxolan-2-ylmethyl 3-aminopropanoate has a molecular weight of 173.21 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 3-aminopropanoate is sourced from PubChem (CID 22321347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).