methyl 3-[cyclopentyl(2-hydroxyethyl)amino]prop-2-enoate

C11H19NO3 — CID 79896251

IUPACmethyl 3-[cyclopentyl(2-hydroxyethyl)amino]prop-2-enoate
SMILESCOC(=O)C=CN(CCO)C1CCCC1
InChIInChI=1S/C11H19NO3/c1-15-11(14)6-7-12(8-9-13)10-4-2-3-5-10/h6-7,10,13H,2-5,8-9H2,1H3
InChIKeyKRXXTGDJEMPDSM-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.91
Rot. Bonds5

About methyl 3-[cyclopentyl(2-hydroxyethyl)amino]prop-2-enoate

methyl 3-[cyclopentyl(2-hydroxyethyl)amino]prop-2-enoate (PubChem CID 79896251) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 3-[cyclopentyl(2-hydroxyethyl)amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[cyclopentyl(2-hydroxyethyl)amino]prop-2-enoate
PubChem CID79896251
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 3-[cyclopentyl(2-hydroxyethyl)amino]prop-2-enoate
SMILESCOC(=O)C=CN(CCO)C1CCCC1
InChIInChI=1S/C11H19NO3/c1-15-11(14)6-7-12(8-9-13)10-4-2-3-5-10/h6-7,10,13H,2-5,8-9H2,1H3
InChIKeyKRXXTGDJEMPDSM-UHFFFAOYSA-N
XLogP0.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.91
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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Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclopentyl(2-hydroxyethyl)amino]prop-2-enoate?
The IUPAC name of methyl 3-[cyclopentyl(2-hydroxyethyl)amino]prop-2-enoate (CID 79896251) is methyl 3-[cyclopentyl(2-hydroxyethyl)amino]prop-2-enoate.
What is the SMILES notation for methyl 3-[cyclopentyl(2-hydroxyethyl)amino]prop-2-enoate?
The canonical SMILES for methyl 3-[cyclopentyl(2-hydroxyethyl)amino]prop-2-enoate is COC(=O)C=CN(CCO)C1CCCC1.
What is the InChIKey of methyl 3-[cyclopentyl(2-hydroxyethyl)amino]prop-2-enoate?
The InChIKey is KRXXTGDJEMPDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-15-11(14)6-7-12(8-9-13)10-4-2-3-5-10/h6-7,10,13H,2-5,8-9H2,1H3.
What are the key properties of methyl 3-[cyclopentyl(2-hydroxyethyl)amino]prop-2-enoate?
methyl 3-[cyclopentyl(2-hydroxyethyl)amino]prop-2-enoate has a molecular weight of 213.28 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclopentyl(2-hydroxyethyl)amino]prop-2-enoate is sourced from PubChem (CID 79896251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).