tert-butyl N-[(1S,3R)-3-[(3-acetyl-2-methoxy-4-pyridinyl)oxy]cyclopentyl]carbamate

C18H26N2O5 — CID 170602428

IUPACtert-butyl N-[(1S,3R)-3-[(3-acetyl-2-methoxy-4-pyridinyl)oxy]cyclopentyl]carbamate
SMILESCOc1nccc(O[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1C(C)=O
InChIInChI=1S/C18H26N2O5/c1-11(21)15-14(8-9-19-16(15)23-5)24-13-7-6-12(10-13)20-17(22)25-18(2,3)4/h8-9,12-13H,6-7,10H2,1-5H3,(H,20,22)/t12-,13+/m0/s1
InChIKeyRHKXFPMFCBGOHV-QWHCGFSZSA-N
MW350.42 g/mol
LogP3.12
Rot. Bonds5

About tert-butyl N-[(1S,3R)-3-[(3-acetyl-2-methoxy-4-pyridinyl)oxy]cyclopentyl]carbamate

tert-butyl N-[(1S,3R)-3-[(3-acetyl-2-methoxy-4-pyridinyl)oxy]cyclopentyl]carbamate (PubChem CID 170602428) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is tert-butyl N-[(1S,3R)-3-[(3-acetyl-2-methoxy-4-pyridinyl)oxy]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,3R)-3-[(3-acetyl-2-methoxy-4-pyridinyl)oxy]cyclopentyl]carbamate
PubChem CID170602428
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Nametert-butyl N-[(1S,3R)-3-[(3-acetyl-2-methoxy-4-pyridinyl)oxy]cyclopentyl]carbamate
SMILESCOc1nccc(O[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1C(C)=O
InChIInChI=1S/C18H26N2O5/c1-11(21)15-14(8-9-19-16(15)23-5)24-13-7-6-12(10-13)20-17(22)25-18(2,3)4/h8-9,12-13H,6-7,10H2,1-5H3,(H,20,22)/t12-,13+/m0/s1
InChIKeyRHKXFPMFCBGOHV-QWHCGFSZSA-N
XLogP3.12
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(1S,3R)-3-[(3-acetyl-2-methoxy-4-pyridinyl)oxy]cyclopentyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1R,3R)-3-[(6-bromo-3-pyridinyl)oxy]cyclopentyl]carbamate
CID 169188311
tert-butyl N-[(1S,3R)-3-[(2-bromo-6-propyl-3-pyridinyl)oxy]cyclopentyl]carbamate
CID 166147913
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylic acid
CID 175849779
[(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate
CID 141204267
tert-butyl N-[3-[(2-methoxy-3-pyridinyl)methylamino]cyclobutyl]carbamate
CID 103759532
tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate
CID 103082835
tert-butyl N-[3-[(5-fluoro-2-pyridinyl)oxy]cyclobutyl]carbamate
CID 175870913
tert-butyl N-[(1R,3R)-3-(2-bromo-5-chloro-3-fluorophenoxy)cyclopentyl]carbamate
CID 170071286
methyl 4-iodo-2-[6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 90102185
tert-butyl N-[(1R,3S)-3-(2-methoxyphenyl)cyclohexyl]carbamate
CID 139378064
tert-butyl N-[(1S,3R)-3-(7-chloro-2,6-naphthyridin-1-yl)cyclopentyl]carbamate
CID 178017165
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,3R)-3-[(3-acetyl-2-methoxy-4-pyridinyl)oxy]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,3R)-3-[(3-acetyl-2-methoxy-4-pyridinyl)oxy]cyclopentyl]carbamate (CID 170602428) is tert-butyl N-[(1S,3R)-3-[(3-acetyl-2-methoxy-4-pyridinyl)oxy]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,3R)-3-[(3-acetyl-2-methoxy-4-pyridinyl)oxy]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,3R)-3-[(3-acetyl-2-methoxy-4-pyridinyl)oxy]cyclopentyl]carbamate is COc1nccc(O[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1C(C)=O.
What is the InChIKey of tert-butyl N-[(1S,3R)-3-[(3-acetyl-2-methoxy-4-pyridinyl)oxy]cyclopentyl]carbamate?
The InChIKey is RHKXFPMFCBGOHV-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-11(21)15-14(8-9-19-16(15)23-5)24-13-7-6-12(10-13)20-17(22)25-18(2,3)4/h8-9,12-13H,6-7,10H2,1-5H3,(H,20,22)/t12-,13+/m0/s1.
What are the key properties of tert-butyl N-[(1S,3R)-3-[(3-acetyl-2-methoxy-4-pyridinyl)oxy]cyclopentyl]carbamate?
tert-butyl N-[(1S,3R)-3-[(3-acetyl-2-methoxy-4-pyridinyl)oxy]cyclopentyl]carbamate has a molecular weight of 350.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,3R)-3-[(3-acetyl-2-methoxy-4-pyridinyl)oxy]cyclopentyl]carbamate is sourced from PubChem (CID 170602428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).