2-[iodo(methyl)amino]ethyl 3-[4-(2-propanoyloxyethyl)morpholin-2-yl]propanoate

C15H27IN2O5 — CID 143349311

IUPAC2-[iodo(methyl)amino]ethyl 3-[4-(2-propanoyloxyethyl)morpholin-2-yl]propanoate
SMILESCCC(=O)OCCN1CCOC(CCC(=O)OCCN(C)I)C1
InChIInChI=1S/C15H27IN2O5/c1-3-14(19)22-11-8-18-7-10-21-13(12-18)4-5-15(20)23-9-6-17(2)16/h13H,3-12H2,1-2H3
InChIKeyUEBLPOGVOZXZGX-UHFFFAOYSA-N
MW442.29 g/mol
LogP1.25
Rot. Bonds10

About 2-[iodo(methyl)amino]ethyl 3-[4-(2-propanoyloxyethyl)morpholin-2-yl]propanoate

2-[iodo(methyl)amino]ethyl 3-[4-(2-propanoyloxyethyl)morpholin-2-yl]propanoate (PubChem CID 143349311) has the molecular formula C15H27IN2O5 and a molecular weight of 442.29 g/mol. Its IUPAC name is 2-[iodo(methyl)amino]ethyl 3-[4-(2-propanoyloxyethyl)morpholin-2-yl]propanoate.

Molecular Properties

Compound Name2-[iodo(methyl)amino]ethyl 3-[4-(2-propanoyloxyethyl)morpholin-2-yl]propanoate
PubChem CID143349311
Molecular FormulaC15H27IN2O5
Molecular Weight442.29 g/mol
Exact Mass442.10
IUPAC Name2-[iodo(methyl)amino]ethyl 3-[4-(2-propanoyloxyethyl)morpholin-2-yl]propanoate
SMILESCCC(=O)OCCN1CCOC(CCC(=O)OCCN(C)I)C1
InChIInChI=1S/C15H27IN2O5/c1-3-14(19)22-11-8-18-7-10-21-13(12-18)4-5-15(20)23-9-6-17(2)16/h13H,3-12H2,1-2H3
InChIKeyUEBLPOGVOZXZGX-UHFFFAOYSA-N
XLogP1.25
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.29
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

Methyl 5-morpholin-4-ylpentanoate;hydrochloride
CID 45261361
Methyl 5-morpholin-4-ylpentanoate
CID 44333026
Methyl 4-keto-5-morpholino valerate
CID 567727
5-[(4-Methylpiperazin-1-yl)methyl]oxolan-2-one
CID 5230385
Ethyl 5-morpholin-4-ylpentanoate
CID 16097789
(R)-5-(2-aminomethyl-morpholin-4-yl)-pentanoic acid ethyl ester
CID 59447978
(S)-5-(2-aminomethyl-morpholin-4-yl)-pentanoic acid ethyl ester
CID 59448007
ethyl 5-[(2R)-2-(azidomethyl)morpholin-4-yl]pentanoate
CID 59448013
ethyl 5-[(2S)-2-(azidomethyl)morpholin-4-yl]pentanoate
CID 59448021
3-[4-(2-Hydroxyethyl)morpholin-2-yl]propanoic acid
CID 68948882
Ethyl 5-[2-(aminomethyl)morpholin-4-yl]pentanoate
CID 70887152
Ethyl 5-[2-(azidomethyl)morpholin-4-yl]pentanoate
CID 72301795

Frequently Asked Questions

What is the IUPAC name of 2-[iodo(methyl)amino]ethyl 3-[4-(2-propanoyloxyethyl)morpholin-2-yl]propanoate?
The IUPAC name of 2-[iodo(methyl)amino]ethyl 3-[4-(2-propanoyloxyethyl)morpholin-2-yl]propanoate (CID 143349311) is 2-[iodo(methyl)amino]ethyl 3-[4-(2-propanoyloxyethyl)morpholin-2-yl]propanoate.
What is the SMILES notation for 2-[iodo(methyl)amino]ethyl 3-[4-(2-propanoyloxyethyl)morpholin-2-yl]propanoate?
The canonical SMILES for 2-[iodo(methyl)amino]ethyl 3-[4-(2-propanoyloxyethyl)morpholin-2-yl]propanoate is CCC(=O)OCCN1CCOC(CCC(=O)OCCN(C)I)C1.
What is the InChIKey of 2-[iodo(methyl)amino]ethyl 3-[4-(2-propanoyloxyethyl)morpholin-2-yl]propanoate?
The InChIKey is UEBLPOGVOZXZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27IN2O5/c1-3-14(19)22-11-8-18-7-10-21-13(12-18)4-5-15(20)23-9-6-17(2)16/h13H,3-12H2,1-2H3.
What are the key properties of 2-[iodo(methyl)amino]ethyl 3-[4-(2-propanoyloxyethyl)morpholin-2-yl]propanoate?
2-[iodo(methyl)amino]ethyl 3-[4-(2-propanoyloxyethyl)morpholin-2-yl]propanoate has a molecular weight of 442.29 g/mol, XLogP of 1.25, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[iodo(methyl)amino]ethyl 3-[4-(2-propanoyloxyethyl)morpholin-2-yl]propanoate is sourced from PubChem (CID 143349311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).