ethyl 4-[2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]-3-ethylpiperazine-1-carboxylate

C18H33N3O5 — CID 66651561

IUPACethyl 4-[2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]-3-ethylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(N)CCC(=O)OC(C)(C)C)C(CC)C1
InChIInChI=1S/C18H33N3O5/c1-6-13-12-20(17(24)25-7-2)10-11-21(13)16(23)14(19)8-9-15(22)26-18(3,4)5/h13-14H,6-12,19H2,1-5H3
InChIKeyVWHRHDAOTLELBF-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.51
Rot. Bonds6

About ethyl 4-[2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]-3-ethylpiperazine-1-carboxylate

ethyl 4-[2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]-3-ethylpiperazine-1-carboxylate (PubChem CID 66651561) has the molecular formula C18H33N3O5 and a molecular weight of 371.48 g/mol. Its IUPAC name is ethyl 4-[2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]-3-ethylpiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]-3-ethylpiperazine-1-carboxylate
PubChem CID66651561
Molecular FormulaC18H33N3O5
Molecular Weight371.48 g/mol
Exact Mass371.24
IUPAC Nameethyl 4-[2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]-3-ethylpiperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(N)CCC(=O)OC(C)(C)C)C(CC)C1
InChIInChI=1S/C18H33N3O5/c1-6-13-12-20(17(24)25-7-2)10-11-21(13)16(23)14(19)8-9-15(22)26-18(3,4)5/h13-14H,6-12,19H2,1-5H3
InChIKeyVWHRHDAOTLELBF-UHFFFAOYSA-N
XLogP1.51
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]-3-ethylpiperazine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[(2S)-2-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]piperazine-1-carboxylate
CID 70793923
tert-butyl (3S)-4-carbonochloridoyl-3-ethylpiperazine-1-carboxylate
CID 87713865
1-O-tert-butyl 4-O-prop-2-enyl 2-(3-ethoxy-3-oxopropyl)piperazine-1,4-dicarboxylate
CID 118183039
tert-butyl 3-ethyl-4-(2,2,2-trifluoroacetyl)piperazine-1-carboxylate
CID 154652517
4-[(2S)-2-amino-6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoyl]piperazine-1-carboxylic acid
CID 141217962
ethyl 4-[1-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-3-(oxomethylidene)piperazine-1-carboxylate
CID 87454499
tert-butyl 2-ethylaziridine-1-carboxylate
CID 73192323
tert-butyl 3-ethyl-4-propan-2-ylpiperazine-1-carboxylate
CID 170288316
tert-butyl 4-amino-5-[4-(butoxycarbonylamino)piperidin-1-yl]-5-oxopentanoate
CID 66854395
(2R)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 7016383
tert-butyl (4R)-4-aminopentanoate
CID 58781983
tert-butyl 4-(3-ethoxy-3-oxopropyl)-3-(fluoromethyl)piperazine-1-carboxylate
CID 118909318

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]-3-ethylpiperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]-3-ethylpiperazine-1-carboxylate (CID 66651561) is ethyl 4-[2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]-3-ethylpiperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]-3-ethylpiperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]-3-ethylpiperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C(N)CCC(=O)OC(C)(C)C)C(CC)C1.
What is the InChIKey of ethyl 4-[2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]-3-ethylpiperazine-1-carboxylate?
The InChIKey is VWHRHDAOTLELBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O5/c1-6-13-12-20(17(24)25-7-2)10-11-21(13)16(23)14(19)8-9-15(22)26-18(3,4)5/h13-14H,6-12,19H2,1-5H3.
What are the key properties of ethyl 4-[2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]-3-ethylpiperazine-1-carboxylate?
ethyl 4-[2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]-3-ethylpiperazine-1-carboxylate has a molecular weight of 371.48 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]-3-ethylpiperazine-1-carboxylate is sourced from PubChem (CID 66651561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).