2-(2-methoxyethoxy)ethyl 4-(aminomethyl)oxane-4-carboxylate

C12H23NO5 — CID 104563587

IUPAC2-(2-methoxyethoxy)ethyl 4-(aminomethyl)oxane-4-carboxylate
SMILESCOCCOCCOC(=O)C1(CN)CCOCC1
InChIInChI=1S/C12H23NO5/c1-15-6-7-17-8-9-18-11(14)12(10-13)2-4-16-5-3-12/h2-10,13H2,1H3
InChIKeyUVCXECHWPZQSMC-UHFFFAOYSA-N
MW261.32 g/mol
LogP-0.05
Rot. Bonds8

About 2-(2-methoxyethoxy)ethyl 4-(aminomethyl)oxane-4-carboxylate

2-(2-methoxyethoxy)ethyl 4-(aminomethyl)oxane-4-carboxylate (PubChem CID 104563587) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 4-(aminomethyl)oxane-4-carboxylate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 4-(aminomethyl)oxane-4-carboxylate
PubChem CID104563587
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Name2-(2-methoxyethoxy)ethyl 4-(aminomethyl)oxane-4-carboxylate
SMILESCOCCOCCOC(=O)C1(CN)CCOCC1
InChIInChI=1S/C12H23NO5/c1-15-6-7-17-8-9-18-11(14)12(10-13)2-4-16-5-3-12/h2-10,13H2,1H3
InChIKeyUVCXECHWPZQSMC-UHFFFAOYSA-N
XLogP-0.05
TPSA80.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxy-3-methylbutyl) 4-(aminomethyl)oxane-4-carboxylate
CID 106666095
2-(3-methoxypropoxy)ethyl 1-(aminomethyl)cycloheptane-1-carboxylate
CID 103178541
1-[4-(aminomethyl)oxan-4-yl]-4-methoxy-2-methylbutan-1-one
CID 116603098
4-(aminomethyl)-N,N-bis(2-methoxyethyl)oxane-4-carboxamide;hydrochloride
CID 120917290
3-phenylpropyl 4-(aminomethyl)oxane-4-carboxylate
CID 115440250
3-methylbutan-2-yl 4-(aminomethyl)oxane-4-carboxylate
CID 115440262
2-(2-methylpropoxy)ethyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 106447956
oxolan-2-ylmethyl 4-(aminomethyl)oxane-4-carboxylate
CID 113310259
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-4-methoxybutanoic acid
CID 115439531
pentan-2-yl 4-(aminomethyl)oxane-4-carboxylate
CID 102982557
2-[(2-methylpropan-2-yl)oxy]ethyl 1-(aminomethyl)cyclopropane-1-carboxylate
CID 112588020
benzyl 4-(aminomethyl)oxane-4-carboxylate
CID 115440225

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 4-(aminomethyl)oxane-4-carboxylate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 4-(aminomethyl)oxane-4-carboxylate (CID 104563587) is 2-(2-methoxyethoxy)ethyl 4-(aminomethyl)oxane-4-carboxylate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 4-(aminomethyl)oxane-4-carboxylate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 4-(aminomethyl)oxane-4-carboxylate is COCCOCCOC(=O)C1(CN)CCOCC1.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 4-(aminomethyl)oxane-4-carboxylate?
The InChIKey is UVCXECHWPZQSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-15-6-7-17-8-9-18-11(14)12(10-13)2-4-16-5-3-12/h2-10,13H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl 4-(aminomethyl)oxane-4-carboxylate?
2-(2-methoxyethoxy)ethyl 4-(aminomethyl)oxane-4-carboxylate has a molecular weight of 261.32 g/mol, XLogP of -0.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 4-(aminomethyl)oxane-4-carboxylate is sourced from PubChem (CID 104563587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).