ethyl 2-[3-chloroprop-2-enyl(propan-2-yl)amino]acetate

C10H18ClNO2 — CID 76931432

IUPACethyl 2-[3-chloroprop-2-enyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(CC=CCl)C(C)C
InChIInChI=1S/C10H18ClNO2/c1-4-14-10(13)8-12(9(2)3)7-5-6-11/h5-6,9H,4,7-8H2,1-3H3
InChIKeyPAFZDUCPZWUURW-UHFFFAOYSA-N
MW219.71 g/mol
LogP2.01
Rot. Bonds6

About ethyl 2-[3-chloroprop-2-enyl(propan-2-yl)amino]acetate

ethyl 2-[3-chloroprop-2-enyl(propan-2-yl)amino]acetate (PubChem CID 76931432) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is ethyl 2-[3-chloroprop-2-enyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[3-chloroprop-2-enyl(propan-2-yl)amino]acetate
PubChem CID76931432
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Nameethyl 2-[3-chloroprop-2-enyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(CC=CCl)C(C)C
InChIInChI=1S/C10H18ClNO2/c1-4-14-10(13)8-12(9(2)3)7-5-6-11/h5-6,9H,4,7-8H2,1-3H3
InChIKeyPAFZDUCPZWUURW-UHFFFAOYSA-N
XLogP2.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3-chloro-2-methylprop-2-enyl)-propan-2-ylamino]acetate
CID 106439800
ethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate
CID 62026057
methyl 3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate
CID 62027008
ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate
CID 62028710
ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetate
CID 112687535
ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate
CID 170383647
ethyl 2-[(3-methoxy-3-methylbutyl)-propan-2-ylamino]acetate
CID 102977138
ethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate
CID 61224895
ethyl 2-[[1-(dimethylamino)-1-oxopropan-2-yl]-prop-2-enylamino]acetate
CID 115539173
ethyl (E)-4-[2-methylpropyl(propan-2-yl)amino]but-2-enoate
CID 80548910
ethyl 2-[[(2S)-2-amino-4-methylpentanoyl]-propan-2-ylamino]acetate
CID 61158746
ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate
CID 62026995

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-chloroprop-2-enyl(propan-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[3-chloroprop-2-enyl(propan-2-yl)amino]acetate (CID 76931432) is ethyl 2-[3-chloroprop-2-enyl(propan-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[3-chloroprop-2-enyl(propan-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[3-chloroprop-2-enyl(propan-2-yl)amino]acetate is CCOC(=O)CN(CC=CCl)C(C)C.
What is the InChIKey of ethyl 2-[3-chloroprop-2-enyl(propan-2-yl)amino]acetate?
The InChIKey is PAFZDUCPZWUURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-4-14-10(13)8-12(9(2)3)7-5-6-11/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of ethyl 2-[3-chloroprop-2-enyl(propan-2-yl)amino]acetate?
ethyl 2-[3-chloroprop-2-enyl(propan-2-yl)amino]acetate has a molecular weight of 219.71 g/mol, XLogP of 2.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-chloroprop-2-enyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 76931432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).