methyl 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C11H20FNO4 — CID 53419542

IUPACmethyl 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCOC(=O)C(CCCF)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20FNO4/c1-11(2,3)17-10(15)13-8(6-5-7-12)9(14)16-4/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyZXGZWEVPHSMUGQ-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.80
Rot. Bonds5

About methyl 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

methyl 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 53419542) has the molecular formula C11H20FNO4 and a molecular weight of 249.28 g/mol. Its IUPAC name is methyl 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Namemethyl 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID53419542
Molecular FormulaC11H20FNO4
Molecular Weight249.28 g/mol
Exact Mass249.14
IUPAC Namemethyl 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCOC(=O)C(CCCF)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20FNO4/c1-11(2,3)17-10(15)13-8(6-5-7-12)9(14)16-4/h8H,5-7H2,1-4H3,(H,13,15)
InChIKeyZXGZWEVPHSMUGQ-UHFFFAOYSA-N
XLogP1.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-6-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 170738223
methyl (2S)-7-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate
CID 145364807
tert-butyl (2S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 170558282
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxoheptanoate
CID 59280412
methyl 5,5-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 53419541
methyl 4-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 14394149
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-enoate
CID 100999449
ditert-butyl (2S,4S)-2-(3-fluoropropyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 58185188
methyl (2S,4S)-10-fluoro-4-(1-methoxyethenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoate
CID 143896158
methyl 5-(1-aminocyclopropyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 175669579
methyl 5-(diaminomethylideneamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 22227521
tert-butyl 6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 18185129

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of methyl 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 53419542) is methyl 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for methyl 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for methyl 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is COC(=O)C(CCCF)NC(=O)OC(C)(C)C.
What is the InChIKey of methyl 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is ZXGZWEVPHSMUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO4/c1-11(2,3)17-10(15)13-8(6-5-7-12)9(14)16-4/h8H,5-7H2,1-4H3,(H,13,15).
What are the key properties of methyl 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
methyl 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 249.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 53419542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).