ethyl 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]prop-2-enoate

C12H21NO3 — CID 102863943

IUPACethyl 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]prop-2-enoate
SMILESC=C(CN(CCO)C1CCC1)C(=O)OCC
InChIInChI=1S/C12H21NO3/c1-3-16-12(15)10(2)9-13(7-8-14)11-5-4-6-11/h11,14H,2-9H2,1H3
InChIKeyFOEHKUCZOVZAKN-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.95
Rot. Bonds7

About ethyl 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]prop-2-enoate

ethyl 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]prop-2-enoate (PubChem CID 102863943) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is ethyl 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]prop-2-enoate
PubChem CID102863943
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Nameethyl 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]prop-2-enoate
SMILESC=C(CN(CCO)C1CCC1)C(=O)OCC
InChIInChI=1S/C12H21NO3/c1-3-16-12(15)10(2)9-13(7-8-14)11-5-4-6-11/h11,14H,2-9H2,1H3
InChIKeyFOEHKUCZOVZAKN-UHFFFAOYSA-N
XLogP0.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[cyclobutyl(2-hydroxyethyl)amino]-2,2-dimethyl-3-oxobutanoate
CID 102864575
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
CID 102677162
2-[cyclopentyl(2-hydroxyethyl)amino]-N,N-diethylacetamide
CID 62015445
2-[cyclopentyl(2-hydroxyethyl)amino]-N,N-dipropylacetamide
CID 62015247
ethyl 4-[[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]amino]butanoate
CID 102676800
2-[cyclobutyl(2-hydroxyethyl)amino]-N-cyclohexyl-N-methylacetamide
CID 102676811
propan-2-yl 2-[cyclohexyl(2-hydroxyethyl)amino]acetate
CID 60694307
2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 102676924
2-[cyclopropyl(2-hydroxyethyl)amino]-N,N-diethylacetamide
CID 60510071
N-cyclohexyl-2-[cyclopropyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 60774513
2-[2-chloroprop-2-enyl(cyclopentyl)amino]ethanol
CID 62014468
1-[cyclohexyl(2-hydroxyethyl)amino]-3-methoxypropan-2-one
CID 107507311

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]prop-2-enoate (CID 102863943) is ethyl 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]prop-2-enoate is C=C(CN(CCO)C1CCC1)C(=O)OCC.
What is the InChIKey of ethyl 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]prop-2-enoate?
The InChIKey is FOEHKUCZOVZAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-16-12(15)10(2)9-13(7-8-14)11-5-4-6-11/h11,14H,2-9H2,1H3.
What are the key properties of ethyl 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]prop-2-enoate?
ethyl 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]prop-2-enoate has a molecular weight of 227.30 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]prop-2-enoate is sourced from PubChem (CID 102863943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).