methyl 2-amino-2-cyclohexyl-3-fluoropropanoate

C10H18FNO2 — CID 105455426

IUPACmethyl 2-amino-2-cyclohexyl-3-fluoropropanoate
SMILESCOC(=O)C(N)(CF)C1CCCCC1
InChIInChI=1S/C10H18FNO2/c1-14-9(13)10(12,7-11)8-5-3-2-4-6-8/h8H,2-7,12H2,1H3
InChIKeyDNFIEDFYBJXVKD-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.41
Rot. Bonds3

About methyl 2-amino-2-cyclohexyl-3-fluoropropanoate

methyl 2-amino-2-cyclohexyl-3-fluoropropanoate (PubChem CID 105455426) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is methyl 2-amino-2-cyclohexyl-3-fluoropropanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-cyclohexyl-3-fluoropropanoate
PubChem CID105455426
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Namemethyl 2-amino-2-cyclohexyl-3-fluoropropanoate
SMILESCOC(=O)C(N)(CF)C1CCCCC1
InChIInChI=1S/C10H18FNO2/c1-14-9(13)10(12,7-11)8-5-3-2-4-6-8/h8H,2-7,12H2,1H3
InChIKeyDNFIEDFYBJXVKD-UHFFFAOYSA-N
XLogP1.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 63907282
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methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride
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methyl 2-amino-2-cyclopropyl-3-[3-(2-methoxyethoxy)propoxy]propanoate
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methyl 2-amino-3-[cyclopentyl(ethyl)amino]-2-cyclopropylpropanoate
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(2S)-2-amino-2-cyclohexylbutanamide
CID 67737232
methyl 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 63910738
methyl 2-amino-2-cyclopropyl-3-(3,5-dimethylcyclohexyl)oxypropanoate
CID 64730240
methyl 2-amino-2-cyclopropyl-3-(4,4-dimethylcyclohexyl)oxypropanoate
CID 114342105
(3R)-3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
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3-amino-3-cyclopentyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
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CID 67553135

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-cyclohexyl-3-fluoropropanoate?
The IUPAC name of methyl 2-amino-2-cyclohexyl-3-fluoropropanoate (CID 105455426) is methyl 2-amino-2-cyclohexyl-3-fluoropropanoate.
What is the SMILES notation for methyl 2-amino-2-cyclohexyl-3-fluoropropanoate?
The canonical SMILES for methyl 2-amino-2-cyclohexyl-3-fluoropropanoate is COC(=O)C(N)(CF)C1CCCCC1.
What is the InChIKey of methyl 2-amino-2-cyclohexyl-3-fluoropropanoate?
The InChIKey is DNFIEDFYBJXVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-14-9(13)10(12,7-11)8-5-3-2-4-6-8/h8H,2-7,12H2,1H3.
What are the key properties of methyl 2-amino-2-cyclohexyl-3-fluoropropanoate?
methyl 2-amino-2-cyclohexyl-3-fluoropropanoate has a molecular weight of 203.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-cyclohexyl-3-fluoropropanoate is sourced from PubChem (CID 105455426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).