methyl 3-[2-chloroprop-2-enyl(propan-2-yl)amino]propanoate

C10H18ClNO2 — CID 56790014

IUPACmethyl 3-[2-chloroprop-2-enyl(propan-2-yl)amino]propanoate
SMILESC=C(Cl)CN(CCC(=O)OC)C(C)C
InChIInChI=1S/C10H18ClNO2/c1-8(2)12(7-9(3)11)6-5-10(13)14-4/h8H,3,5-7H2,1-2,4H3
InChIKeyLSDNZMXTFOBRFE-UHFFFAOYSA-N
MW219.71 g/mol
LogP2.01
Rot. Bonds6

About methyl 3-[2-chloroprop-2-enyl(propan-2-yl)amino]propanoate

methyl 3-[2-chloroprop-2-enyl(propan-2-yl)amino]propanoate (PubChem CID 56790014) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is methyl 3-[2-chloroprop-2-enyl(propan-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-chloroprop-2-enyl(propan-2-yl)amino]propanoate
PubChem CID56790014
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Namemethyl 3-[2-chloroprop-2-enyl(propan-2-yl)amino]propanoate
SMILESC=C(Cl)CN(CCC(=O)OC)C(C)C
InChIInChI=1S/C10H18ClNO2/c1-8(2)12(7-9(3)11)6-5-10(13)14-4/h8H,3,5-7H2,1-2,4H3
InChIKeyLSDNZMXTFOBRFE-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

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methyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate
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methyl 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoate
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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-chloroprop-2-enyl(propan-2-yl)amino]propanoate?
The IUPAC name of methyl 3-[2-chloroprop-2-enyl(propan-2-yl)amino]propanoate (CID 56790014) is methyl 3-[2-chloroprop-2-enyl(propan-2-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-chloroprop-2-enyl(propan-2-yl)amino]propanoate?
The canonical SMILES for methyl 3-[2-chloroprop-2-enyl(propan-2-yl)amino]propanoate is C=C(Cl)CN(CCC(=O)OC)C(C)C.
What is the InChIKey of methyl 3-[2-chloroprop-2-enyl(propan-2-yl)amino]propanoate?
The InChIKey is LSDNZMXTFOBRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-8(2)12(7-9(3)11)6-5-10(13)14-4/h8H,3,5-7H2,1-2,4H3.
What are the key properties of methyl 3-[2-chloroprop-2-enyl(propan-2-yl)amino]propanoate?
methyl 3-[2-chloroprop-2-enyl(propan-2-yl)amino]propanoate 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 methyl 3-[2-chloroprop-2-enyl(propan-2-yl)amino]propanoate is sourced from PubChem (CID 56790014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).