ethyl 2-[1-(butoxycarbonylamino)cyclopentyl]-1-ethyl-5-hydroxy-6-oxopyrimidine-4-carboxylate

C19H29N3O6 — CID 70970116

IUPACethyl 2-[1-(butoxycarbonylamino)cyclopentyl]-1-ethyl-5-hydroxy-6-oxopyrimidine-4-carboxylate
SMILESCCCCOC(=O)NC1(c2nc(C(=O)OCC)c(O)c(=O)n2CC)CCCC1
InChIInChI=1S/C19H29N3O6/c1-4-7-12-28-18(26)21-19(10-8-9-11-19)17-20-13(16(25)27-6-3)14(23)15(24)22(17)5-2/h23H,4-12H2,1-3H3,(H,21,26)
InChIKeyUNCZPVYFJKAFTF-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.44
Rot. Bonds8

About ethyl 2-[1-(butoxycarbonylamino)cyclopentyl]-1-ethyl-5-hydroxy-6-oxopyrimidine-4-carboxylate

ethyl 2-[1-(butoxycarbonylamino)cyclopentyl]-1-ethyl-5-hydroxy-6-oxopyrimidine-4-carboxylate (PubChem CID 70970116) has the molecular formula C19H29N3O6 and a molecular weight of 395.46 g/mol. Its IUPAC name is ethyl 2-[1-(butoxycarbonylamino)cyclopentyl]-1-ethyl-5-hydroxy-6-oxopyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[1-(butoxycarbonylamino)cyclopentyl]-1-ethyl-5-hydroxy-6-oxopyrimidine-4-carboxylate
PubChem CID70970116
Molecular FormulaC19H29N3O6
Molecular Weight395.46 g/mol
Exact Mass395.21
IUPAC Nameethyl 2-[1-(butoxycarbonylamino)cyclopentyl]-1-ethyl-5-hydroxy-6-oxopyrimidine-4-carboxylate
SMILESCCCCOC(=O)NC1(c2nc(C(=O)OCC)c(O)c(=O)n2CC)CCCC1
InChIInChI=1S/C19H29N3O6/c1-4-7-12-28-18(26)21-19(10-8-9-11-19)17-20-13(16(25)27-6-3)14(23)15(24)22(17)5-2/h23H,4-12H2,1-3H3,(H,21,26)
InChIKeyUNCZPVYFJKAFTF-UHFFFAOYSA-N
XLogP2.44
TPSA119.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 1-amino-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-4-carboxylate
CID 57905014
Ethyl 1-amino-5-hydroxy-6-oxo-3,7-diazatricyclo[8.2.1.02,7]trideca-2,4-diene-4-carboxylate
CID 57905310
Ethyl 1-(butoxycarbonylamino)-5-hydroxy-6-oxo-3,7-diazatricyclo[8.2.1.02,7]trideca-2,4-diene-4-carboxylate
CID 66595203
ethyl 8-[(butoxycarbonylamino)methyl]-3-hydroxy-4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxylate
CID 66595206
Ethyl 1-(butoxycarbonylamino)-5-hydroxy-6-oxo-3,7-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-4-carboxylate
CID 66595334
Ethyl 2-cyclopentyl-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylate
CID 68219130
ethyl 9-amino-3-hydroxy-7-methyl-4-oxo-9-propyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-2-carboxylate
CID 70970111
Ethyl 2-(4-amino-2-methylheptan-4-yl)-5-hydroxy-1-methyl-6-oxopyrimidine-4-carboxylate
CID 70970126
methyl 5-hydroxy-2-[(2S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-6-oxo-1H-pyrimidine-4-carboxylate
CID 135796690

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(butoxycarbonylamino)cyclopentyl]-1-ethyl-5-hydroxy-6-oxopyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-[1-(butoxycarbonylamino)cyclopentyl]-1-ethyl-5-hydroxy-6-oxopyrimidine-4-carboxylate (CID 70970116) is ethyl 2-[1-(butoxycarbonylamino)cyclopentyl]-1-ethyl-5-hydroxy-6-oxopyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-[1-(butoxycarbonylamino)cyclopentyl]-1-ethyl-5-hydroxy-6-oxopyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-[1-(butoxycarbonylamino)cyclopentyl]-1-ethyl-5-hydroxy-6-oxopyrimidine-4-carboxylate is CCCCOC(=O)NC1(c2nc(C(=O)OCC)c(O)c(=O)n2CC)CCCC1.
What is the InChIKey of ethyl 2-[1-(butoxycarbonylamino)cyclopentyl]-1-ethyl-5-hydroxy-6-oxopyrimidine-4-carboxylate?
The InChIKey is UNCZPVYFJKAFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O6/c1-4-7-12-28-18(26)21-19(10-8-9-11-19)17-20-13(16(25)27-6-3)14(23)15(24)22(17)5-2/h23H,4-12H2,1-3H3,(H,21,26).
What are the key properties of ethyl 2-[1-(butoxycarbonylamino)cyclopentyl]-1-ethyl-5-hydroxy-6-oxopyrimidine-4-carboxylate?
ethyl 2-[1-(butoxycarbonylamino)cyclopentyl]-1-ethyl-5-hydroxy-6-oxopyrimidine-4-carboxylate has a molecular weight of 395.46 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(butoxycarbonylamino)cyclopentyl]-1-ethyl-5-hydroxy-6-oxopyrimidine-4-carboxylate is sourced from PubChem (CID 70970116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).