5-(aminomethyl)-N-(2-but-3-enoxyethyl)oxolane-2-carboxamide

C12H22N2O3 — CID 106398363

IUPAC5-(aminomethyl)-N-(2-but-3-enoxyethyl)oxolane-2-carboxamide
SMILESC=CCCOCCNC(=O)C1CCC(CN)O1
InChIInChI=1S/C12H22N2O3/c1-2-3-7-16-8-6-14-12(15)11-5-4-10(9-13)17-11/h2,10-11H,1,3-9,13H2,(H,14,15)
InChIKeyXANJTIMLEPNVKE-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.20
Rot. Bonds8

About 5-(aminomethyl)-N-(2-but-3-enoxyethyl)oxolane-2-carboxamide

5-(aminomethyl)-N-(2-but-3-enoxyethyl)oxolane-2-carboxamide (PubChem CID 106398363) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-but-3-enoxyethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-but-3-enoxyethyl)oxolane-2-carboxamide
PubChem CID106398363
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name5-(aminomethyl)-N-(2-but-3-enoxyethyl)oxolane-2-carboxamide
SMILESC=CCCOCCNC(=O)C1CCC(CN)O1
InChIInChI=1S/C12H22N2O3/c1-2-3-7-16-8-6-14-12(15)11-5-4-10(9-13)17-11/h2,10-11H,1,3-9,13H2,(H,14,15)
InChIKeyXANJTIMLEPNVKE-UHFFFAOYSA-N
XLogP0.20
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
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

(2S,5R)-5-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]oxolane-2-carboxamide
CID 120790364
(2S,5R)-5-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120785667
(2S,5R)-5-(aminomethyl)-N-(3-butoxypropyl)oxolane-2-carboxamide
CID 120783198
(2S,5R)-5-(aminomethyl)-N-(3,3-dimethylbutyl)oxolane-2-carboxamide
CID 120785708
2-amino-N-(2-but-3-enoxyethyl)cyclopentane-1-carboxamide
CID 106398080
(2S,5R)-5-(aminomethyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]oxolane-2-carboxamide
CID 120801562
methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]acetate
CID 120787676
(2S,5R)-5-(aminomethyl)-N-(cyclohexylmethyl)oxolane-2-carboxamide
CID 120782860
(2S,5R)-5-(aminomethyl)-N-(2-tert-butylsulfinylethyl)oxolane-2-carboxamide;hydrochloride
CID 120793223
2-but-3-enoxyethylurea
CID 103852774
5-(aminomethyl)-N-hex-5-ynyloxolane-2-carboxamide
CID 106212939
5-(aminomethyl)-N-(5-methylhexyl)oxolane-2-carboxamide
CID 115325352

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-but-3-enoxyethyl)oxolane-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(2-but-3-enoxyethyl)oxolane-2-carboxamide (CID 106398363) is 5-(aminomethyl)-N-(2-but-3-enoxyethyl)oxolane-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-but-3-enoxyethyl)oxolane-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-but-3-enoxyethyl)oxolane-2-carboxamide is C=CCCOCCNC(=O)C1CCC(CN)O1.
What is the InChIKey of 5-(aminomethyl)-N-(2-but-3-enoxyethyl)oxolane-2-carboxamide?
The InChIKey is XANJTIMLEPNVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-3-7-16-8-6-14-12(15)11-5-4-10(9-13)17-11/h2,10-11H,1,3-9,13H2,(H,14,15).
What are the key properties of 5-(aminomethyl)-N-(2-but-3-enoxyethyl)oxolane-2-carboxamide?
5-(aminomethyl)-N-(2-but-3-enoxyethyl)oxolane-2-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-but-3-enoxyethyl)oxolane-2-carboxamide is sourced from PubChem (CID 106398363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).