methyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate

C9H18FNO2 — CID 81113798

IUPACmethyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(CCCF)C(C)C
InChIInChI=1S/C9H18FNO2/c1-8(2)11(6-4-5-10)7-9(12)13-3/h8H,4-7H2,1-3H3
InChIKeyXTIJKPWJWLFBDL-UHFFFAOYSA-N
MW191.25 g/mol
LogP1.23
Rot. Bonds6

About methyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate

methyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate (PubChem CID 81113798) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is methyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate
PubChem CID81113798
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Namemethyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(CCCF)C(C)C
InChIInChI=1S/C9H18FNO2/c1-8(2)11(6-4-5-10)7-9(12)13-3/h8H,4-7H2,1-3H3
InChIKeyXTIJKPWJWLFBDL-UHFFFAOYSA-N
XLogP1.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 2-[[3-(methylcarbamoylamino)-3-oxopropyl]-propan-2-ylamino]acetate
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2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid
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methyl 2-[2-cyanopropyl(propan-2-yl)amino]acetate
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ethyl 3-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate
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methyl 2-[(2-hydroxy-2-methylbutyl)-propan-2-ylamino]acetate
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2-[3-aminopropyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate?
The IUPAC name of methyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate (CID 81113798) is methyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate is COC(=O)CN(CCCF)C(C)C.
What is the InChIKey of methyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate?
The InChIKey is XTIJKPWJWLFBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-8(2)11(6-4-5-10)7-9(12)13-3/h8H,4-7H2,1-3H3.
What are the key properties of methyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate?
methyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate has a molecular weight of 191.25 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 81113798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).