bis(3-ethenoxypropyl) 4-aminoheptanedioate

C17H29NO6 — CID 89325626

IUPACbis(3-ethenoxypropyl) 4-aminoheptanedioate
SMILESC=COCCCOC(=O)CCC(N)CCC(=O)OCCCOC=C
InChIInChI=1S/C17H29NO6/c1-3-21-11-5-13-23-16(19)9-7-15(18)8-10-17(20)24-14-6-12-22-4-2/h3-4,15H,1-2,5-14,18H2
InChIKeyCHPPFHLIFIMDGU-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.06
Rot. Bonds16

About bis(3-ethenoxypropyl) 4-aminoheptanedioate

bis(3-ethenoxypropyl) 4-aminoheptanedioate (PubChem CID 89325626) has the molecular formula C17H29NO6 and a molecular weight of 343.42 g/mol. Its IUPAC name is bis(3-ethenoxypropyl) 4-aminoheptanedioate.

Molecular Properties

Compound Namebis(3-ethenoxypropyl) 4-aminoheptanedioate
PubChem CID89325626
Molecular FormulaC17H29NO6
Molecular Weight343.42 g/mol
Exact Mass343.20
IUPAC Namebis(3-ethenoxypropyl) 4-aminoheptanedioate
SMILESC=COCCCOC(=O)CCC(N)CCC(=O)OCCCOC=C
InChIInChI=1S/C17H29NO6/c1-3-21-11-5-13-23-16(19)9-7-15(18)8-10-17(20)24-14-6-12-22-4-2/h3-4,15H,1-2,5-14,18H2
InChIKeyCHPPFHLIFIMDGU-UHFFFAOYSA-N
XLogP2.06
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

bis(6-ethenoxyhexyl) pentanedioate
CID 90256894
8-(4-ethenoxybutoxy)-8-oxooctanoic acid
CID 175367691
butyl 4,6-diaminohexanoate
CID 87271987
2-[4-amino-7-oxo-7-[2-(trimethylazaniumyl)ethoxy]heptanoyl]oxyethyl-trimethylazanium
CID 89422124
bis(3-ethenoxypropyl) 2-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutanoyl]amino]pentanedioate
CID 58862831
bis(4-aminodecyl) butanedioate
CID 175117757
4-ethenoxybutanoate
CID 23167560
pent-4-enyl pent-4-enoate
CID 86018729
bis(3-fluoropropyl) (2S)-2-aminopentanedioate
CID 174597641
1,4-bis(ethenoxy)butane;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 18006649
dibutyl (2S)-2-aminopentanedioate;hydrochloride
CID 13126106
bis(pent-4-enyl) decanedioate
CID 91694638

Frequently Asked Questions

What is the IUPAC name of bis(3-ethenoxypropyl) 4-aminoheptanedioate?
The IUPAC name of bis(3-ethenoxypropyl) 4-aminoheptanedioate (CID 89325626) is bis(3-ethenoxypropyl) 4-aminoheptanedioate.
What is the SMILES notation for bis(3-ethenoxypropyl) 4-aminoheptanedioate?
The canonical SMILES for bis(3-ethenoxypropyl) 4-aminoheptanedioate is C=COCCCOC(=O)CCC(N)CCC(=O)OCCCOC=C.
What is the InChIKey of bis(3-ethenoxypropyl) 4-aminoheptanedioate?
The InChIKey is CHPPFHLIFIMDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO6/c1-3-21-11-5-13-23-16(19)9-7-15(18)8-10-17(20)24-14-6-12-22-4-2/h3-4,15H,1-2,5-14,18H2.
What are the key properties of bis(3-ethenoxypropyl) 4-aminoheptanedioate?
bis(3-ethenoxypropyl) 4-aminoheptanedioate has a molecular weight of 343.42 g/mol, XLogP of 2.06, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-ethenoxypropyl) 4-aminoheptanedioate is sourced from PubChem (CID 89325626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).