methyl 2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

C10H18FNO4 — CID 87219776

IUPACmethyl 2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCOC(=O)C(F)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H18FNO4/c1-10(2,3)16-9(14)12-6-5-7(11)8(13)15-4/h7H,5-6H2,1-4H3,(H,12,14)
InChIKeyWOIHOEYFYQOGKO-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.41
Rot. Bonds4

About methyl 2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

methyl 2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (PubChem CID 87219776) has the molecular formula C10H18FNO4 and a molecular weight of 235.25 g/mol. Its IUPAC name is methyl 2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
PubChem CID87219776
Molecular FormulaC10H18FNO4
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Namemethyl 2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
SMILESCOC(=O)C(F)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H18FNO4/c1-10(2,3)16-9(14)12-6-5-7(11)8(13)15-4/h7H,5-6H2,1-4H3,(H,12,14)
InChIKeyWOIHOEYFYQOGKO-UHFFFAOYSA-N
XLogP1.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(((Tert-butoxy)carbonyl)amino)butanoic acid
CID 294894
Methyl 4-((tert-butoxycarbonyl)amino)butanoate
CID 13112352
4-(((Tert-butoxy)carbonyl)amino)-3,3-difluorobutanoic acid
CID 50986491
4-{[(Tert-butoxy)carbonyl]amino}-2-methylbutanoic acid
CID 59008908
4-(((Tert-butoxy)carbonyl)amino)-2-fluorobutanoic acid
CID 134163128
Ethyl 2,2-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 11414473
methyl (2S,3S)-2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 101548672
Ethyl 2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(trifluoromethyl)butanoate
CID 164675139
Ethyl 4-((tert-butoxycarbonyl)amino)butanoate
CID 57829509
Methyl 2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 87219708
(2S)-2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 15690692
Ethyl 4,4,4-trifluoro-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoate
CID 87219760

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The IUPAC name of methyl 2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate (CID 87219776) is methyl 2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate.
What is the SMILES notation for methyl 2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The canonical SMILES for methyl 2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is COC(=O)C(F)CCNC(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
The InChIKey is WOIHOEYFYQOGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO4/c1-10(2,3)16-9(14)12-6-5-7(11)8(13)15-4/h7H,5-6H2,1-4H3,(H,12,14).
What are the key properties of methyl 2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate?
methyl 2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate has a molecular weight of 235.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate is sourced from PubChem (CID 87219776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).