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

C10H17NO3 — CID 79277559

IUPACoxolan-2-ylmethyl 2-(prop-2-enylamino)acetate
SMILESC=CCNCC(=O)OCC1CCCO1
InChIInChI=1S/C10H17NO3/c1-2-5-11-7-10(12)14-8-9-4-3-6-13-9/h2,9,11H,1,3-8H2
InChIKeyKXBXGMKKGFXNRO-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.48
Rot. Bonds6

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

oxolan-2-ylmethyl 2-(prop-2-enylamino)acetate (PubChem CID 79277559) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is oxolan-2-ylmethyl 2-(prop-2-enylamino)acetate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 2-(prop-2-enylamino)acetate
PubChem CID79277559
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameoxolan-2-ylmethyl 2-(prop-2-enylamino)acetate
SMILESC=CCNCC(=O)OCC1CCCO1
InChIInChI=1S/C10H17NO3/c1-2-5-11-7-10(12)14-8-9-4-3-6-13-9/h2,9,11H,1,3-8H2
InChIKeyKXBXGMKKGFXNRO-UHFFFAOYSA-N
XLogP0.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

oxolan-2-ylmethyl 2-(prop-2-ynylamino)acetate
CID 79274543
[(2R)-oxolan-2-yl]methyl prop-2-enoate
CID 736022
ethene;oxolan-2-ylmethyl prop-2-enoate
CID 70419708
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347
oxan-2-ylmethyl 2-cyclopentylacetate
CID 78788812
oxolan-2-ylmethyl 2-(8-azabicyclo[3.2.1]octan-3-yl)acetate
CID 79609187
molecular hydrogen;oxolan-2-ylmethyl 4-prop-2-enoyloxybutanoate
CID 158631778
2-(chloromethyl)oxolane;N-prop-2-enylprop-2-en-1-amine
CID 67292903
oxolan-2-ylmethyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 66662121
oxolan-2-ylmethyl 5-hydroxy-4-oxopentanoate
CID 174653429
2-oxo-2-(oxolan-2-ylmethoxy)acetic acid
CID 154107225

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 2-(prop-2-enylamino)acetate?
The IUPAC name of oxolan-2-ylmethyl 2-(prop-2-enylamino)acetate (CID 79277559) is oxolan-2-ylmethyl 2-(prop-2-enylamino)acetate.
What is the SMILES notation for oxolan-2-ylmethyl 2-(prop-2-enylamino)acetate?
The canonical SMILES for oxolan-2-ylmethyl 2-(prop-2-enylamino)acetate is C=CCNCC(=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 2-(prop-2-enylamino)acetate?
The InChIKey is KXBXGMKKGFXNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-5-11-7-10(12)14-8-9-4-3-6-13-9/h2,9,11H,1,3-8H2.
What are the key properties of oxolan-2-ylmethyl 2-(prop-2-enylamino)acetate?
oxolan-2-ylmethyl 2-(prop-2-enylamino)acetate has a molecular weight of 199.25 g/mol, XLogP of 0.48, 6 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-enylamino)acetate is sourced from PubChem (CID 79277559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).