tert-butyl 4-amino-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoate

C18H36N2O7 — CID 175504926

IUPACtert-butyl 4-amino-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoate
SMILESCOCCOCCOCCOCCNC(=O)C(N)CCC(=O)OC(C)(C)C
InChIInChI=1S/C18H36N2O7/c1-18(2,3)27-16(21)6-5-15(19)17(22)20-7-8-24-11-12-26-14-13-25-10-9-23-4/h15H,5-14,19H2,1-4H3,(H,20,22)
InChIKeyVOLLZGCVGSIRKQ-UHFFFAOYSA-N
MW392.49 g/mol
LogP0.25
Rot. Bonds16

About tert-butyl 4-amino-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoate

tert-butyl 4-amino-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoate (PubChem CID 175504926) has the molecular formula C18H36N2O7 and a molecular weight of 392.49 g/mol. Its IUPAC name is tert-butyl 4-amino-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoate.

Molecular Properties

Compound Nametert-butyl 4-amino-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoate
PubChem CID175504926
Molecular FormulaC18H36N2O7
Molecular Weight392.49 g/mol
Exact Mass392.25
IUPAC Nametert-butyl 4-amino-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoate
SMILESCOCCOCCOCCOCCNC(=O)C(N)CCC(=O)OC(C)(C)C
InChIInChI=1S/C18H36N2O7/c1-18(2,3)27-16(21)6-5-15(19)17(22)20-7-8-24-11-12-26-14-13-25-10-9-23-4/h15H,5-14,19H2,1-4H3,(H,20,22)
InChIKeyVOLLZGCVGSIRKQ-UHFFFAOYSA-N
XLogP0.25
TPSA118.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-[2-(2-methoxyethoxy)ethylamino]-5-oxopentanoic acid
CID 64890122
(2R)-2-amino-3-[2-[2-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid
CID 148657291
2-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 81088978
tert-butyl (4S)-4-amino-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-5-oxopentanoate
CID 22845505
(2S)-2-amino-N-[2-(2-methoxyethoxy)ethyl]butanamide
CID 79023015
(2S)-2,6-diamino-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 141222319
2-amino-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybutanamide
CID 62476612
tert-butyl 3-[2-[2-[(6R)-7-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-6-methyl-4,7-dioxoheptoxy]ethoxy]ethoxy]propanoate
CID 160515607
tert-butyl 2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetate
CID 91979596
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentanamide
CID 104903353
tert-butyl 5-[2-(2-aminoethoxy)ethylamino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate;ethane
CID 145199356
2,3-dibromo-4-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethylamino]-4-oxobutanoic acid
CID 162482785

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoate?
The IUPAC name of tert-butyl 4-amino-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoate (CID 175504926) is tert-butyl 4-amino-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoate.
What is the SMILES notation for tert-butyl 4-amino-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoate?
The canonical SMILES for tert-butyl 4-amino-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoate is COCCOCCOCCOCCNC(=O)C(N)CCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-amino-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoate?
The InChIKey is VOLLZGCVGSIRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O7/c1-18(2,3)27-16(21)6-5-15(19)17(22)20-7-8-24-11-12-26-14-13-25-10-9-23-4/h15H,5-14,19H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl 4-amino-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoate?
tert-butyl 4-amino-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoate has a molecular weight of 392.49 g/mol, XLogP of 0.25, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-5-oxopentanoate is sourced from PubChem (CID 175504926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).