ethyl 3-[(2R)-3-methylbutan-2-yl]oxy-1-(1-nitrosoethyl)cyclopentane-1-carboxylate

C15H27NO4 — CID 163479316

IUPACethyl 3-[(2R)-3-methylbutan-2-yl]oxy-1-(1-nitrosoethyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(C(C)N=O)CCC(O[C@H](C)C(C)C)C1
InChIInChI=1S/C15H27NO4/c1-6-19-14(17)15(12(5)16-18)8-7-13(9-15)20-11(4)10(2)3/h10-13H,6-9H2,1-5H3/t11-,12?,13?,15?/m1/s1
InChIKeyCDDOYXBFUNHKNT-PEGDAGBESA-N
MW285.38 g/mol
LogP3.30
Rot. Bonds7

About ethyl 3-[(2R)-3-methylbutan-2-yl]oxy-1-(1-nitrosoethyl)cyclopentane-1-carboxylate

ethyl 3-[(2R)-3-methylbutan-2-yl]oxy-1-(1-nitrosoethyl)cyclopentane-1-carboxylate (PubChem CID 163479316) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is ethyl 3-[(2R)-3-methylbutan-2-yl]oxy-1-(1-nitrosoethyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2R)-3-methylbutan-2-yl]oxy-1-(1-nitrosoethyl)cyclopentane-1-carboxylate
PubChem CID163479316
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nameethyl 3-[(2R)-3-methylbutan-2-yl]oxy-1-(1-nitrosoethyl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(C(C)N=O)CCC(O[C@H](C)C(C)C)C1
InChIInChI=1S/C15H27NO4/c1-6-19-14(17)15(12(5)16-18)8-7-13(9-15)20-11(4)10(2)3/h10-13H,6-9H2,1-5H3/t11-,12?,13?,15?/m1/s1
InChIKeyCDDOYXBFUNHKNT-PEGDAGBESA-N
XLogP3.30
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[hydroxy-(4-methoxycyclohexyl)methyl]-4-methoxycyclohexane-1-carboxylate
CID 68626423
ethyl 1-(propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclopentane-1-carboxylate
CID 79644712
ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate
CID 79649440
ethyl 1-hydroxy-4-(1,2,2-trifluoroethoxy)cyclohexane-1-carboxylate
CID 68763914
diethyl 5-(1-ethoxyethoxy)piperidine-2,2-dicarboxylate
CID 139563478
ethyl 1-acetyloxy-4-propan-2-yloxycyclohexane-1-carboxylate
CID 19700044
ethane;ethyl 1-hydroxy-4-methoxycyclohexane-1-carboxylate
CID 143528155
ethyl 1-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)cyclopentane-1-carboxylate
CID 103489908
ethyl 1-(methylamino)-3-octan-2-yloxycyclopentane-1-carboxylate
CID 79646964
diethyl 2-fluorocyclopropane-1,1-dicarboxylate
CID 134464391
ethyl 2-(4,4-dimethylcyclohexyl)oxybutanoate
CID 114340349
ethyl 1-(3,3-difluorocyclobutyl)sulfonylcyclopropane-1-carboxylate
CID 146442008

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2R)-3-methylbutan-2-yl]oxy-1-(1-nitrosoethyl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 3-[(2R)-3-methylbutan-2-yl]oxy-1-(1-nitrosoethyl)cyclopentane-1-carboxylate (CID 163479316) is ethyl 3-[(2R)-3-methylbutan-2-yl]oxy-1-(1-nitrosoethyl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 3-[(2R)-3-methylbutan-2-yl]oxy-1-(1-nitrosoethyl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 3-[(2R)-3-methylbutan-2-yl]oxy-1-(1-nitrosoethyl)cyclopentane-1-carboxylate is CCOC(=O)C1(C(C)N=O)CCC(O[C@H](C)C(C)C)C1.
What is the InChIKey of ethyl 3-[(2R)-3-methylbutan-2-yl]oxy-1-(1-nitrosoethyl)cyclopentane-1-carboxylate?
The InChIKey is CDDOYXBFUNHKNT-PEGDAGBESA-N. The full InChI is InChI=1S/C15H27NO4/c1-6-19-14(17)15(12(5)16-18)8-7-13(9-15)20-11(4)10(2)3/h10-13H,6-9H2,1-5H3/t11-,12?,13?,15?/m1/s1.
What are the key properties of ethyl 3-[(2R)-3-methylbutan-2-yl]oxy-1-(1-nitrosoethyl)cyclopentane-1-carboxylate?
ethyl 3-[(2R)-3-methylbutan-2-yl]oxy-1-(1-nitrosoethyl)cyclopentane-1-carboxylate has a molecular weight of 285.38 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2R)-3-methylbutan-2-yl]oxy-1-(1-nitrosoethyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 163479316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).