oxolan-2-ylmethyl 2-(prop-2-ynylamino)acetate

C10H15NO3 — CID 79274543

IUPACoxolan-2-ylmethyl 2-(prop-2-ynylamino)acetate
SMILESC#CCNCC(=O)OCC1CCCO1
InChIInChI=1S/C10H15NO3/c1-2-5-11-7-10(12)14-8-9-4-3-6-13-9/h1,9,11H,3-8H2
InChIKeyJENGCWQPFMROSQ-UHFFFAOYSA-N
MW197.23 g/mol
LogP-0.07
Rot. Bonds5

About oxolan-2-ylmethyl 2-(prop-2-ynylamino)acetate

oxolan-2-ylmethyl 2-(prop-2-ynylamino)acetate (PubChem CID 79274543) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is oxolan-2-ylmethyl 2-(prop-2-ynylamino)acetate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 2-(prop-2-ynylamino)acetate
PubChem CID79274543
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameoxolan-2-ylmethyl 2-(prop-2-ynylamino)acetate
SMILESC#CCNCC(=O)OCC1CCCO1
InChIInChI=1S/C10H15NO3/c1-2-5-11-7-10(12)14-8-9-4-3-6-13-9/h1,9,11H,3-8H2
InChIKeyJENGCWQPFMROSQ-UHFFFAOYSA-N
XLogP-0.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

oxolan-2-ylmethyl 2-(prop-2-enylamino)acetate
CID 79277559
4-(oxolan-2-yl)-1-(prop-2-ynylamino)butan-2-one
CID 116589479
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
N-[2-(oxolan-2-ylmethoxy)ethyl]prop-2-yn-1-amine
CID 62572652
2-(oxolan-2-yl)-N-prop-2-ynylacetamide
CID 60769102
oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347
oxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate
CID 174653429
oxolan-2-ylmethyl 2-(3-methylazetidin-3-yl)oxyacetate
CID 102658397
methyl 2-[[(2R)-oxolan-2-yl]methylamino]acetate
CID 28585559
oxan-2-ylmethyl 2-cyclopentylacetate
CID 78788812
N-[2-(oxolan-2-yl)ethyl]prop-2-yn-1-amine
CID 62141075
ethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate
CID 54937670

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 2-(prop-2-ynylamino)acetate?
The IUPAC name of oxolan-2-ylmethyl 2-(prop-2-ynylamino)acetate (CID 79274543) is oxolan-2-ylmethyl 2-(prop-2-ynylamino)acetate.
What is the SMILES notation for oxolan-2-ylmethyl 2-(prop-2-ynylamino)acetate?
The canonical SMILES for oxolan-2-ylmethyl 2-(prop-2-ynylamino)acetate is C#CCNCC(=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 2-(prop-2-ynylamino)acetate?
The InChIKey is JENGCWQPFMROSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-5-11-7-10(12)14-8-9-4-3-6-13-9/h1,9,11H,3-8H2.
What are the key properties of oxolan-2-ylmethyl 2-(prop-2-ynylamino)acetate?
oxolan-2-ylmethyl 2-(prop-2-ynylamino)acetate has a molecular weight of 197.23 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 2-(prop-2-ynylamino)acetate is sourced from PubChem (CID 79274543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).