5-(2-aminoethylamino)pentylcarbamoyloxymethyl acetate;N'-(2-aminoethyl)pentane-1,5-diamine;(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl acetate

C26H51N7O11 — CID 159005446

IUPAC5-(2-aminoethylamino)pentylcarbamoyloxymethyl acetate;N'-(2-aminoethyl)pentane-1,5-diamine;(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl acetate
SMILESCC(=O)OCOC(=O)NCCCCCNCCN.CC(=O)OCOC(=O)ON1C(=O)CCC1=O.NCCCCCNCCN
InChIInChI=1S/C11H23N3O4.C8H9NO7.C7H19N3/c1-10(15)17-9-18-11(16)14-7-4-2-3-6-13-8-5-12;1-5(10)14-4-15-8(13)16-9-6(11)2-3-7(9)12;8-4-2-1-3-6-10-7-5-9/h13H,2-9,12H2,1H3,(H,14,16);2-4H2,1H3;10H,1-9H2
InChIKeyJRWANECQAUXGEP-UHFFFAOYSA-N
MW637.73 g/mol
LogP-0.66
Rot. Bonds20

About 5-(2-aminoethylamino)pentylcarbamoyloxymethyl acetate;N'-(2-aminoethyl)pentane-1,5-diamine;(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl acetate

5-(2-aminoethylamino)pentylcarbamoyloxymethyl acetate;N'-(2-aminoethyl)pentane-1,5-diamine;(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl acetate (PubChem CID 159005446) has the molecular formula C26H51N7O11 and a molecular weight of 637.73 g/mol. Its IUPAC name is 5-(2-aminoethylamino)pentylcarbamoyloxymethyl acetate;N'-(2-aminoethyl)pentane-1,5-diamine;(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl acetate.

Molecular Properties

Compound Name5-(2-aminoethylamino)pentylcarbamoyloxymethyl acetate;N'-(2-aminoethyl)pentane-1,5-diamine;(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl acetate
PubChem CID159005446
Molecular FormulaC26H51N7O11
Molecular Weight637.73 g/mol
Exact Mass637.36
IUPAC Name5-(2-aminoethylamino)pentylcarbamoyloxymethyl acetate;N'-(2-aminoethyl)pentane-1,5-diamine;(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl acetate
SMILESCC(=O)OCOC(=O)NCCCCCNCCN.CC(=O)OCOC(=O)ON1C(=O)CCC1=O.NCCCCCNCCN
InChIInChI=1S/C11H23N3O4.C8H9NO7.C7H19N3/c1-10(15)17-9-18-11(16)14-7-4-2-3-6-13-8-5-12;1-5(10)14-4-15-8(13)16-9-6(11)2-3-7(9)12;8-4-2-1-3-6-10-7-5-9/h13H,2-9,12H2,1H3,(H,14,16);2-4H2,1H3;10H,1-9H2
InChIKeyJRWANECQAUXGEP-UHFFFAOYSA-N
XLogP-0.66
TPSA265.96 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500637.73
LogP ≤ 5-0.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-(2-aminoethylamino)pentylcarbamoyloxymethyl acetate;N'-(2-aminoethyl)pentane-1,5-diamine;(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl acetate with MolForge

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Related Compounds

N-(5-aminopentyl)acetamide;(2,5-dioxopyrrolidin-1-yl) acetate;pentane-1,5-diamine
CID 161410533
(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 5-(2-methylprop-2-enoylamino)pentanoate
CID 90373410
4-O-[(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl] 1-O-(methylcarbamoyloxymethyl) butanedioate
CID 118982470
(2,5-dioxopyrrolidin-1-yl) 5-(2-methoxyethoxycarbonylamino)pentanoate
CID 59112809
(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl 6-[3-(3-methyldiazirin-3-yl)propanoylamino]hexanoate
CID 78324260
2,6-diacetamidohexanoic acid;2,6-diaminohexanoic acid;(2,5-dioxopyrrolidin-1-yl) acetate;methane;hydrate
CID 159583984
N-(5-acetamido-6-hydroxyhexyl)acetamide;2,6-diaminohexan-1-ol;(2,5-dioxopyrrolidin-1-yl) acetate;methane
CID 161076807
(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
CID 129055925
(2,5-dioxopyrrolidin-1-yl) 2-(methoxymethoxycarbonylamino)acetate
CID 21014625
(2,5-dioxopyrrolidin-1-yl) (2S)-2-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 122683630
(2,5-dioxopyrrolidin-1-yl) 2-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 118487569
N-[3-[4-(2-aminoethylamino)butylamino]propyl]acetamide
CID 59687519

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethylamino)pentylcarbamoyloxymethyl acetate;N'-(2-aminoethyl)pentane-1,5-diamine;(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl acetate?
The IUPAC name of 5-(2-aminoethylamino)pentylcarbamoyloxymethyl acetate;N'-(2-aminoethyl)pentane-1,5-diamine;(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl acetate (CID 159005446) is 5-(2-aminoethylamino)pentylcarbamoyloxymethyl acetate;N'-(2-aminoethyl)pentane-1,5-diamine;(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl acetate.
What is the SMILES notation for 5-(2-aminoethylamino)pentylcarbamoyloxymethyl acetate;N'-(2-aminoethyl)pentane-1,5-diamine;(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl acetate?
The canonical SMILES for 5-(2-aminoethylamino)pentylcarbamoyloxymethyl acetate;N'-(2-aminoethyl)pentane-1,5-diamine;(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl acetate is CC(=O)OCOC(=O)NCCCCCNCCN.CC(=O)OCOC(=O)ON1C(=O)CCC1=O.NCCCCCNCCN.
What is the InChIKey of 5-(2-aminoethylamino)pentylcarbamoyloxymethyl acetate;N'-(2-aminoethyl)pentane-1,5-diamine;(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl acetate?
The InChIKey is JRWANECQAUXGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O4.C8H9NO7.C7H19N3/c1-10(15)17-9-18-11(16)14-7-4-2-3-6-13-8-5-12;1-5(10)14-4-15-8(13)16-9-6(11)2-3-7(9)12;8-4-2-1-3-6-10-7-5-9/h13H,2-9,12H2,1H3,(H,14,16);2-4H2,1H3;10H,1-9H2.
What are the key properties of 5-(2-aminoethylamino)pentylcarbamoyloxymethyl acetate;N'-(2-aminoethyl)pentane-1,5-diamine;(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl acetate?
5-(2-aminoethylamino)pentylcarbamoyloxymethyl acetate;N'-(2-aminoethyl)pentane-1,5-diamine;(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl acetate has a molecular weight of 637.73 g/mol, XLogP of -0.66, 20 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethylamino)pentylcarbamoyloxymethyl acetate;N'-(2-aminoethyl)pentane-1,5-diamine;(2,5-dioxopyrrolidin-1-yl)oxycarbonyloxymethyl acetate is sourced from PubChem (CID 159005446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).