ethyl 5-[(2R)-2-(azidomethyl)morpholin-4-yl]pentanoate

C12H22N4O3 — CID 59448013

IUPACethyl 5-[(2R)-2-(azidomethyl)morpholin-4-yl]pentanoate
SMILESCCOC(=O)CCCCN1CCO[C@@H](CN=[N+]=[N-])C1
InChIInChI=1S/C12H22N4O3/c1-2-18-12(17)5-3-4-6-16-7-8-19-11(10-16)9-14-15-13/h11H,2-10H2,1H3/t11-/m0/s1
InChIKeyKBCWSOICDHMIGI-NSHDSACASA-N
MW270.33 g/mol
LogP1.73
Rot. Bonds8

About ethyl 5-[(2R)-2-(azidomethyl)morpholin-4-yl]pentanoate

ethyl 5-[(2R)-2-(azidomethyl)morpholin-4-yl]pentanoate (PubChem CID 59448013) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 5-[(2R)-2-(azidomethyl)morpholin-4-yl]pentanoate.

Molecular Properties

Compound Nameethyl 5-[(2R)-2-(azidomethyl)morpholin-4-yl]pentanoate
PubChem CID59448013
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Nameethyl 5-[(2R)-2-(azidomethyl)morpholin-4-yl]pentanoate
SMILESCCOC(=O)CCCCN1CCO[C@@H](CN=[N+]=[N-])C1
InChIInChI=1S/C12H22N4O3/c1-2-18-12(17)5-3-4-6-16-7-8-19-11(10-16)9-14-15-13/h11H,2-10H2,1H3/t11-/m0/s1
InChIKeyKBCWSOICDHMIGI-NSHDSACASA-N
XLogP1.73
TPSA87.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate
CID 79827518
ethyl 7-morpholin-4-ylheptanoate
CID 56691255
methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate
CID 114398668
[4-(3-azidopropyl)morpholin-2-yl]methanol
CID 81219129
ethyl 7-morpholin-4-ylheptanoate;hydrochloride
CID 71385589
ethyl 5-[2-(4-fluorophenyl)morpholin-4-yl]pentanoate
CID 56875309
4-[2-(aminomethyl)morpholin-4-yl]-N,N-diethylbutanamide
CID 114398814
ethyl 5-(azetidin-1-yl)pentanoate
CID 166535323
ethyl 4-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]butanoate
CID 60687522
ethyl 1-(3-azidopropyl)piperidine-3-carboxylate
CID 61396117
ethyl 5-[(2R)-2-methylthiomorpholin-4-yl]pentanoate
CID 97215475
methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate
CID 115533916

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2R)-2-(azidomethyl)morpholin-4-yl]pentanoate?
The IUPAC name of ethyl 5-[(2R)-2-(azidomethyl)morpholin-4-yl]pentanoate (CID 59448013) is ethyl 5-[(2R)-2-(azidomethyl)morpholin-4-yl]pentanoate.
What is the SMILES notation for ethyl 5-[(2R)-2-(azidomethyl)morpholin-4-yl]pentanoate?
The canonical SMILES for ethyl 5-[(2R)-2-(azidomethyl)morpholin-4-yl]pentanoate is CCOC(=O)CCCCN1CCO[C@@H](CN=[N+]=[N-])C1.
What is the InChIKey of ethyl 5-[(2R)-2-(azidomethyl)morpholin-4-yl]pentanoate?
The InChIKey is KBCWSOICDHMIGI-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N4O3/c1-2-18-12(17)5-3-4-6-16-7-8-19-11(10-16)9-14-15-13/h11H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of ethyl 5-[(2R)-2-(azidomethyl)morpholin-4-yl]pentanoate?
ethyl 5-[(2R)-2-(azidomethyl)morpholin-4-yl]pentanoate has a molecular weight of 270.33 g/mol, XLogP of 1.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2R)-2-(azidomethyl)morpholin-4-yl]pentanoate is sourced from PubChem (CID 59448013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).