methyl 3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

C10H18FNO4 — CID 84727078

IUPACmethyl 3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCOC(=O)C(CF)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H18FNO4/c1-10(2,3)16-9(14)12(4)7(6-11)8(13)15-5/h7H,6H2,1-5H3
InChIKeyPEPWIEPQEHISNV-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.36
Rot. Bonds3

About methyl 3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

methyl 3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (PubChem CID 84727078) has the molecular formula C10H18FNO4 and a molecular weight of 235.25 g/mol. Its IUPAC name is methyl 3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
PubChem CID84727078
Molecular FormulaC10H18FNO4
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Namemethyl 3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESCOC(=O)C(CF)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C10H18FNO4/c1-10(2,3)16-9(14)12(4)7(6-11)8(13)15-5/h7H,6H2,1-5H3
InChIKeyPEPWIEPQEHISNV-UHFFFAOYSA-N
XLogP1.36
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(((Tert-butoxy)carbonyl)(methyl)amino)propanoic acid
CID 4436857
(2S)-2-(((tert-butoxy)carbonyl)(methyl)amino)propanoic acid
CID 7009590
Methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate
CID 14018930
Ethyl 2-{bis[(tert-butoxy)carbonyl]amino}-2-fluoroacetate
CID 13594882
Tert-butyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-fluoroacetate
CID 14859121
Methyl 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 11054434
(4S)-N-tert-butoxycarbonyl-4-methyl-5-oxazolidinone
CID 12084899
Tert-butyl 3-fluoro-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 11833181
Methyl (R)-2-((tert-butoxycarbonyl)amino)-3-fluoropropanoate
CID 13773591
N-(tert-Butoxycarbonyl)-3-fluoro-N-methyl-L-alanine
CID 15941024
N-(tert-Butoxycarbonyl)-N-methyl-D-alanine
CID 16211306
Methyl 3-fluoro-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 60031899

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The IUPAC name of methyl 3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (CID 84727078) is methyl 3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The canonical SMILES for methyl 3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is COC(=O)C(CF)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The InChIKey is PEPWIEPQEHISNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO4/c1-10(2,3)16-9(14)12(4)7(6-11)8(13)15-5/h7H,6H2,1-5H3.
What are the key properties of methyl 3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
methyl 3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate has a molecular weight of 235.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is sourced from PubChem (CID 84727078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).