ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate

C12H21NO5 — CID 130277620

IUPACethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO5/c1-5-17-10(15)7-6-9(14)8-13-11(16)18-12(2,3)4/h5-8H2,1-4H3,(H,13,16)
InChIKeyXIORSGLSWXITHT-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.42
Rot. Bonds6

About ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate

ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate (PubChem CID 130277620) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
PubChem CID130277620
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Nameethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO5/c1-5-17-10(15)7-6-9(14)8-13-11(16)18-12(2,3)4/h5-8H2,1-4H3,(H,13,16)
InChIKeyXIORSGLSWXITHT-UHFFFAOYSA-N
XLogP1.42
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
1-butanoyloxyethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
CID 25155020
diethyl 2-aminopentanedioate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 91573357
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;propane
CID 144755686
ethyl (5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoate
CID 15674439
tert-butyl N-(2-oxohex-5-enyl)carbamate
CID 178201050
5-[[5-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-oxopentanoyl]amino]-4-oxopentanoic acid
CID 160877136
tert-butyl N-(3-bromo-2-oxopropyl)carbamate
CID 53439192
ethyl (E)-7-[(2-methylpropan-2-yl)oxycarbonylamino]hept-5-enoate
CID 143719644
2-(2-ethoxyethoxy)ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 156835456
ethyl 5-[(2-methylpropan-2-yl)oxy]-4-oxopentanoate
CID 103484901
ethyl (2R)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10857788

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate?
The IUPAC name of ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate (CID 130277620) is ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate.
What is the SMILES notation for ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate?
The canonical SMILES for ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate is CCOC(=O)CCC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate?
The InChIKey is XIORSGLSWXITHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-5-17-10(15)7-6-9(14)8-13-11(16)18-12(2,3)4/h5-8H2,1-4H3,(H,13,16).
What are the key properties of ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate?
ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate has a molecular weight of 259.30 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate is sourced from PubChem (CID 130277620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).