N-(2-bicyclo[2.2.1]heptanyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

C12H21ClN2O2 — CID 119790639

IUPACN-(2-bicyclo[2.2.1]heptanyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC1C2)C1CC(O)CN1
InChIInChI=1S/C12H20N2O2.ClH/c15-9-5-11(13-6-9)12(16)14-10-4-7-1-2-8(10)3-7;/h7-11,13,15H,1-6H2,(H,14,16);1H
InChIKeyIPGFUSAOWYUAAT-UHFFFAOYSA-N
MW260.76 g/mol
LogP0.44
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

N-(2-bicyclo[2.2.1]heptanyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119790639) has the molecular formula C12H21ClN2O2 and a molecular weight of 260.76 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
PubChem CID119790639
Molecular FormulaC12H21ClN2O2
Molecular Weight260.76 g/mol
Exact Mass260.13
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC1C2)C1CC(O)CN1
InChIInChI=1S/C12H20N2O2.ClH/c15-9-5-11(13-6-9)12(16)14-10-4-7-1-2-8(10)3-7;/h7-11,13,15H,1-6H2,(H,14,16);1H
InChIKeyIPGFUSAOWYUAAT-UHFFFAOYSA-N
XLogP0.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 55234438
N-(2,3-dimethylcyclohexyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 120607881
(2R,4S)-N-(2-ethylcyclopropyl)-4-hydroxypyrrolidine-2-carboxamide
CID 130774710
1-N,3-N,5-N-tris(2-bicyclo[2.2.1]heptanyl)cyclohexane-1,3,5-tricarboxamide
CID 171722556
(2R)-N-(2-bicyclo[2.2.1]heptanyl)-5-oxopyrrolidine-2-carboxamide
CID 126806435
(2S,4R)-N-cyclobutyl-4-hydroxypyrrolidine-2-carboxamide
CID 66855041
N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 131159808
4-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]pyrrolidine-2-carboxamide
CID 112753360
N-(2-ethylsulfanylcyclopentyl)-4-hydroxypyrrolidine-2-carboxamide
CID 103812895
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
CID 124786150
3-amino-N-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119790629
4-hydroxy-N-(thian-4-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119756559

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (CID 119790639) is N-(2-bicyclo[2.2.1]heptanyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NC1CC2CCC1C2)C1CC(O)CN1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is IPGFUSAOWYUAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2.ClH/c15-9-5-11(13-6-9)12(16)14-10-4-7-1-2-8(10)3-7;/h7-11,13,15H,1-6H2,(H,14,16);1H.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
N-(2-bicyclo[2.2.1]heptanyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 260.76 g/mol, XLogP of 0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119790639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).