ethyl 2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxycyclohexene-1-carboxylate

C19H34N2O5 — CID 141378603

IUPACethyl 2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxycyclohexene-1-carboxylate
SMILESCCOC(=O)C1=C(N)C(OC(CC)CC)CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H34N2O5/c1-7-13(8-2)25-15-11-12(21-18(23)26-19(4,5)6)10-14(16(15)20)17(22)24-9-3/h12-13,15H,7-11,20H2,1-6H3,(H,21,23)
InChIKeyMALZTSUXKSEXAN-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.02
Rot. Bonds7

About ethyl 2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxycyclohexene-1-carboxylate

ethyl 2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxycyclohexene-1-carboxylate (PubChem CID 141378603) has the molecular formula C19H34N2O5 and a molecular weight of 370.49 g/mol. Its IUPAC name is ethyl 2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxycyclohexene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxycyclohexene-1-carboxylate
PubChem CID141378603
Molecular FormulaC19H34N2O5
Molecular Weight370.49 g/mol
Exact Mass370.25
IUPAC Nameethyl 2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxycyclohexene-1-carboxylate
SMILESCCOC(=O)C1=C(N)C(OC(CC)CC)CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H34N2O5/c1-7-13(8-2)25-15-11-12(21-18(23)26-19(4,5)6)10-14(16(15)20)17(22)24-9-3/h12-13,15H,7-11,20H2,1-6H3,(H,21,23)
InChIKeyMALZTSUXKSEXAN-UHFFFAOYSA-N
XLogP3.02
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxycyclohexene-1-carboxylate with MolForge

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Related Compounds

1-O-tert-butyl 3-O-ethyl (1S,5R,6S)-4-amino-6-hydroxy-5-pentan-3-yloxycyclohex-3-ene-1,3-dicarboxylate
CID 142650702
ethyl (3R,4R,5S,6R)-4-acetamido-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxycyclohexene-1-carboxylate
CID 10646105
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutylidene]butanoate
CID 153328584
ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 19386082
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyacetate
CID 138696066
tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate
CID 115756939
diethyl (2S,3S,4R,5S)-4-acetamido-2-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxycyclohexane-1,1-dicarboxylate
CID 90327017
ethyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxybenzoate
CID 165143858
ethyl (3S)-3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoate
CID 169159887
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-phenylacetate
CID 135312159
tert-butyl N-(3,5-dioxocyclohexyl)carbamate
CID 84691194
ethyl 3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylamino]benzoate
CID 156761076

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxycyclohexene-1-carboxylate?
The IUPAC name of ethyl 2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxycyclohexene-1-carboxylate (CID 141378603) is ethyl 2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxycyclohexene-1-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxycyclohexene-1-carboxylate?
The canonical SMILES for ethyl 2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxycyclohexene-1-carboxylate is CCOC(=O)C1=C(N)C(OC(CC)CC)CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of ethyl 2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxycyclohexene-1-carboxylate?
The InChIKey is MALZTSUXKSEXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O5/c1-7-13(8-2)25-15-11-12(21-18(23)26-19(4,5)6)10-14(16(15)20)17(22)24-9-3/h12-13,15H,7-11,20H2,1-6H3,(H,21,23).
What are the key properties of ethyl 2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxycyclohexene-1-carboxylate?
ethyl 2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxycyclohexene-1-carboxylate has a molecular weight of 370.49 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yloxycyclohexene-1-carboxylate is sourced from PubChem (CID 141378603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).