tert-butyl N-(1,2-dihydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C15H27NO6 — CID 154265911

IUPACtert-butyl N-(1,2-dihydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1(O)CCCC1O
InChIInChI=1S/C15H27NO6/c1-13(2,3)21-11(18)16(12(19)22-14(4,5)6)15(20)9-7-8-10(15)17/h10,17,20H,7-9H2,1-6H3
InChIKeyRDEUCLOZNIFVAO-UHFFFAOYSA-N
MW317.38 g/mol
LogP2.39
Rot. Bonds1

About tert-butyl N-(1,2-dihydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-(1,2-dihydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 154265911) has the molecular formula C15H27NO6 and a molecular weight of 317.38 g/mol. Its IUPAC name is tert-butyl N-(1,2-dihydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,2-dihydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID154265911
Molecular FormulaC15H27NO6
Molecular Weight317.38 g/mol
Exact Mass317.18
IUPAC Nametert-butyl N-(1,2-dihydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1(O)CCCC1O
InChIInChI=1S/C15H27NO6/c1-13(2,3)21-11(18)16(12(19)22-14(4,5)6)15(20)9-7-8-10(15)17/h10,17,20H,7-9H2,1-6H3
InChIKeyRDEUCLOZNIFVAO-UHFFFAOYSA-N
XLogP2.39
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N,N-di(cyclobutyl)carbamate
CID 162343429
tert-butyl N-(3,3-difluorocyclohexyl)-N-methylcarbamate
CID 154432366
tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 124555987
tert-butyl N-[(1R,2S)-2-aminocyclohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 141045721
tert-butyl 1-amino-5-hydroxycyclooctane-1-carboxylate
CID 155469441
tert-butyl N-[(1R,2R)-2-aminocyclohexyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 96845339
methyl 2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 67008317
tert-butyl N-cyclopropyl-N-(3-oxohex-5-ynyl)carbamate
CID 165471654
trans-(1S,2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopentane-1-carboxylic acid
CID 154279846
[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2,2,2-trifluoroacetate
CID 174663635
tert-butyl N-(9-hydroxyspiro[3.5]nonan-2-yl)carbamate
CID 170896883
tert-butyl N-(2-aminoethyl)-N-(2-methylcyclohexyl)carbamate
CID 50987788

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,2-dihydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-(1,2-dihydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 154265911) is tert-butyl N-(1,2-dihydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-(1,2-dihydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-(1,2-dihydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1(O)CCCC1O.
What is the InChIKey of tert-butyl N-(1,2-dihydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is RDEUCLOZNIFVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO6/c1-13(2,3)21-11(18)16(12(19)22-14(4,5)6)15(20)9-7-8-10(15)17/h10,17,20H,7-9H2,1-6H3.
What are the key properties of tert-butyl N-(1,2-dihydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-(1,2-dihydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 317.38 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,2-dihydroxycyclopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 154265911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).