3-(5-aminopentanoylamino)propyl 2-methylprop-2-enoate

C12H22N2O3 — CID 118143712

IUPAC3-(5-aminopentanoylamino)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCNC(=O)CCCCN
InChIInChI=1S/C12H22N2O3/c1-10(2)12(16)17-9-5-8-14-11(15)6-3-4-7-13/h1,3-9,13H2,2H3,(H,14,15)
InChIKeyFLEUYRUCDKGUKO-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.74
Rot. Bonds9

About 3-(5-aminopentanoylamino)propyl 2-methylprop-2-enoate

3-(5-aminopentanoylamino)propyl 2-methylprop-2-enoate (PubChem CID 118143712) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(5-aminopentanoylamino)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(5-aminopentanoylamino)propyl 2-methylprop-2-enoate
PubChem CID118143712
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-(5-aminopentanoylamino)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCNC(=O)CCCCN
InChIInChI=1S/C12H22N2O3/c1-10(2)12(16)17-9-5-8-14-11(15)6-3-4-7-13/h1,3-9,13H2,2H3,(H,14,15)
InChIKeyFLEUYRUCDKGUKO-UHFFFAOYSA-N
XLogP0.74
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

10-[3-(2-methylprop-2-enoyloxy)propylamino]-10-oxodecanoic acid
CID 118143869
8-[3-(2-methylprop-2-enoyloxy)propylamino]-8-oxooctanoic acid
CID 118143504
3-acetamidopropyl 2-methylprop-2-enoate
CID 15055173
5-(6-aminohexanoylamino)pentyl acetate
CID 88949115
[7-(ethylamino)-7-oxoheptyl] 2-methylprop-2-enoate
CID 87413355
7-amino-N-(3-methoxypropyl)heptanamide
CID 43153320
2-(6-aminohexylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 88900855
(13-hydrazinyl-13-oxotridecyl) 2-methylprop-2-enoate
CID 87973462
6-amino-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]hexanamide
CID 178049768
6-amino-N-(7-aminoheptyl)hexanamide
CID 56980494
N,N'-bis(12-aminododecyl)octanediamide
CID 58602052
7-amino-N-(3-propan-2-yloxypropyl)heptanamide
CID 61275030

Frequently Asked Questions

What is the IUPAC name of 3-(5-aminopentanoylamino)propyl 2-methylprop-2-enoate?
The IUPAC name of 3-(5-aminopentanoylamino)propyl 2-methylprop-2-enoate (CID 118143712) is 3-(5-aminopentanoylamino)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(5-aminopentanoylamino)propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(5-aminopentanoylamino)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCNC(=O)CCCCN.
What is the InChIKey of 3-(5-aminopentanoylamino)propyl 2-methylprop-2-enoate?
The InChIKey is FLEUYRUCDKGUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-10(2)12(16)17-9-5-8-14-11(15)6-3-4-7-13/h1,3-9,13H2,2H3,(H,14,15).
What are the key properties of 3-(5-aminopentanoylamino)propyl 2-methylprop-2-enoate?
3-(5-aminopentanoylamino)propyl 2-methylprop-2-enoate has a molecular weight of 242.32 g/mol, XLogP of 0.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-aminopentanoylamino)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 118143712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).