N-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide

C9H16N2O2 — CID 130840758

IUPACN-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
SMILESO=C(NCCO)N1C2CCC1CC2
InChIInChI=1S/C9H16N2O2/c12-6-5-10-9(13)11-7-1-2-8(11)4-3-7/h7-8,12H,1-6H2,(H,10,13)
InChIKeyYUBGDFZUKABIPY-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.32
Rot. Bonds2

About N-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide

N-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide (PubChem CID 130840758) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
PubChem CID130840758
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
SMILESO=C(NCCO)N1C2CCC1CC2
InChIInChI=1S/C9H16N2O2/c12-6-5-10-9(13)11-7-1-2-8(11)4-3-7/h7-8,12H,1-6H2,(H,10,13)
InChIKeyYUBGDFZUKABIPY-UHFFFAOYSA-N
XLogP0.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-3-oxa-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 164650614
3-hydroxy-N-(2-hydroxyethyl)piperidine-1-carboxamide
CID 130943838
2-[8-[3-(dimethylamino)propylcarbamoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79610606
2-[8-(but-3-ynylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606674
N-(2-hydroxyethyl)cyclobutanecarboxamide
CID 43389004
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
3-[[(1R,5S)-3-phenyl-8-azabicyclo[3.2.1]octane-8-carbonyl]amino]propanoic acid
CID 122018200
5-[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]-2-methylpentanoic acid
CID 104686686
3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 78955075
(1S,5R)-3-methylsulfanyl-N-(2-phenylethyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 129409721
4-tert-butyl-N-(2-hydroxyethyl)piperazine-1-carboxamide
CID 58525046
4-(aminomethyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide;hydrochloride
CID 165437684

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide (CID 130840758) is N-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide is O=C(NCCO)N1C2CCC1CC2.
What is the InChIKey of N-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide?
The InChIKey is YUBGDFZUKABIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c12-6-5-10-9(13)11-7-1-2-8(11)4-3-7/h7-8,12H,1-6H2,(H,10,13).
What are the key properties of N-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide?
N-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide has a molecular weight of 184.24 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide is sourced from PubChem (CID 130840758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).