ethyl 2-[(3-chloro-2-methylprop-2-enyl)-propan-2-ylamino]acetate

C11H20ClNO2 — CID 106439800

IUPACethyl 2-[(3-chloro-2-methylprop-2-enyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(CC(C)=CCl)C(C)C
InChIInChI=1S/C11H20ClNO2/c1-5-15-11(14)8-13(9(2)3)7-10(4)6-12/h6,9H,5,7-8H2,1-4H3
InChIKeyDUWFNTMXYMDYDZ-UHFFFAOYSA-N
MW233.74 g/mol
LogP2.40
Rot. Bonds6

About ethyl 2-[(3-chloro-2-methylprop-2-enyl)-propan-2-ylamino]acetate

ethyl 2-[(3-chloro-2-methylprop-2-enyl)-propan-2-ylamino]acetate (PubChem CID 106439800) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is ethyl 2-[(3-chloro-2-methylprop-2-enyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-chloro-2-methylprop-2-enyl)-propan-2-ylamino]acetate
PubChem CID106439800
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Nameethyl 2-[(3-chloro-2-methylprop-2-enyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(CC(C)=CCl)C(C)C
InChIInChI=1S/C11H20ClNO2/c1-5-15-11(14)8-13(9(2)3)7-10(4)6-12/h6,9H,5,7-8H2,1-4H3
InChIKeyDUWFNTMXYMDYDZ-UHFFFAOYSA-N
XLogP2.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetate
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ethyl 2-[(3-methoxy-3-methylbutyl)-propan-2-ylamino]acetate
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ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]-propan-2-ylamino]acetate
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ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-chloro-2-methylprop-2-enyl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(3-chloro-2-methylprop-2-enyl)-propan-2-ylamino]acetate (CID 106439800) is ethyl 2-[(3-chloro-2-methylprop-2-enyl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-chloro-2-methylprop-2-enyl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(3-chloro-2-methylprop-2-enyl)-propan-2-ylamino]acetate is CCOC(=O)CN(CC(C)=CCl)C(C)C.
What is the InChIKey of ethyl 2-[(3-chloro-2-methylprop-2-enyl)-propan-2-ylamino]acetate?
The InChIKey is DUWFNTMXYMDYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-5-15-11(14)8-13(9(2)3)7-10(4)6-12/h6,9H,5,7-8H2,1-4H3.
What are the key properties of ethyl 2-[(3-chloro-2-methylprop-2-enyl)-propan-2-ylamino]acetate?
ethyl 2-[(3-chloro-2-methylprop-2-enyl)-propan-2-ylamino]acetate has a molecular weight of 233.74 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-chloro-2-methylprop-2-enyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 106439800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).