N-(4-hydroxypyrrolidin-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide

C11H20N4O2 — CID 155101817

IUPACN-(4-hydroxypyrrolidin-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
SMILESO=C(NC1CNCC1O)N1CC2CCC(C1)N2
InChIInChI=1S/C11H20N4O2/c16-10-4-12-3-9(10)14-11(17)15-5-7-1-2-8(6-15)13-7/h7-10,12-13,16H,1-6H2,(H,14,17)
InChIKeyLKOYTYFXZBAYAD-UHFFFAOYSA-N
MW240.31 g/mol
LogP-1.54
Rot. Bonds1

About N-(4-hydroxypyrrolidin-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide

N-(4-hydroxypyrrolidin-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 155101817) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-(4-hydroxypyrrolidin-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxypyrrolidin-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
PubChem CID155101817
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC NameN-(4-hydroxypyrrolidin-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide
SMILESO=C(NC1CNCC1O)N1CC2CCC(C1)N2
InChIInChI=1S/C11H20N4O2/c16-10-4-12-3-9(10)14-11(17)15-5-7-1-2-8(6-15)13-7/h7-10,12-13,16H,1-6H2,(H,14,17)
InChIKeyLKOYTYFXZBAYAD-UHFFFAOYSA-N
XLogP-1.54
TPSA76.63 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 175793474
(1S,6R)-N-cyclopropyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 97381218
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]acetamide
CID 58396031
N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]acetamide;hydrochloride
CID 67315196
N-cyclobutyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxamide
CID 116658653
N-(2-hydroxycyclopentyl)piperazine-1-carboxamide
CID 77323338
3,7,9-triazabicyclo[3.3.1]nonane-3-carboxylic acid
CID 154388171
N-(4-methylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 79161523
N-(3-azabicyclo[3.1.0]hexan-6-yl)-3-methylpiperidine-1-carboxamide
CID 79162541
N-[(3,3-difluorocyclobutyl)methyl]-3,9-diazabicyclo[3.3.1]nonane-3-carboxamide
CID 128814786
(3S,4S)-4-(methylamino)pyrrolidin-3-ol
CID 59440456
(1S,5R)-N-cyclopentyl-7-ethyl-10-oxo-3,7,9-triazabicyclo[3.3.2]decane-3-carboxamide
CID 146072589

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypyrrolidin-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of N-(4-hydroxypyrrolidin-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide (CID 155101817) is N-(4-hydroxypyrrolidin-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for N-(4-hydroxypyrrolidin-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for N-(4-hydroxypyrrolidin-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide is O=C(NC1CNCC1O)N1CC2CCC(C1)N2.
What is the InChIKey of N-(4-hydroxypyrrolidin-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is LKOYTYFXZBAYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c16-10-4-12-3-9(10)14-11(17)15-5-7-1-2-8(6-15)13-7/h7-10,12-13,16H,1-6H2,(H,14,17).
What are the key properties of N-(4-hydroxypyrrolidin-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide?
N-(4-hydroxypyrrolidin-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 240.31 g/mol, XLogP of -1.54, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypyrrolidin-3-yl)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 155101817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).