3-[bis(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate

C11H21NO4 — CID 20603675

IUPAC3-[bis(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCN(CCO)CCO
InChIInChI=1S/C11H21NO4/c1-10(2)11(15)16-9-3-4-12(5-7-13)6-8-14/h13-14H,1,3-9H2,2H3
InChIKeyFXRSENPFHCVNIV-UHFFFAOYSA-N
MW231.29 g/mol
LogP-0.22
Rot. Bonds9

About 3-[bis(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate

3-[bis(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate (PubChem CID 20603675) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate
PubChem CID20603675
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name3-[bis(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCN(CCO)CCO
InChIInChI=1S/C11H21NO4/c1-10(2)11(15)16-9-3-4-12(5-7-13)6-8-14/h13-14H,1,3-9H2,2H3
InChIKeyFXRSENPFHCVNIV-UHFFFAOYSA-N
XLogP-0.22
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-[ethyl(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate
CID 87217880
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
2-(dipentylamino)ethyl 2-methylprop-2-enoate
CID 54255314
10-(diethylamino)decyl 2-methylprop-2-enoate
CID 88816088
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594
3-(dimethoxyamino)propyl 2-methylprop-2-enoate
CID 163889892
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 87803089
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
2-(diethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161237625
[4-[bis[3-(2-methylprop-2-enoyloxy)propyl]amino]-4-oxobutyl] 2-methylprop-2-enoate
CID 87748178
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate (CID 20603675) is 3-[bis(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCN(CCO)CCO.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate?
The InChIKey is FXRSENPFHCVNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-10(2)11(15)16-9-3-4-12(5-7-13)6-8-14/h13-14H,1,3-9H2,2H3.
What are the key properties of 3-[bis(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate?
3-[bis(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate has a molecular weight of 231.29 g/mol, XLogP of -0.22, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate is sourced from PubChem (CID 20603675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).