2-(cyclopropylamino)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride

C13H23ClN2O2 — CID 110012669

IUPAC2-(cyclopropylamino)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride
SMILESCl.O=C(CNC1CC1)NC1C2CCC(C2)C1CO
InChIInChI=1S/C13H22N2O2.ClH/c16-7-11-8-1-2-9(5-8)13(11)15-12(17)6-14-10-3-4-10;/h8-11,13-14,16H,1-7H2,(H,15,17);1H
InChIKeyXAXCHRUAWOFDJK-UHFFFAOYSA-N
MW274.79 g/mol
LogP0.68
Rot. Bonds5

About 2-(cyclopropylamino)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride

2-(cyclopropylamino)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride (PubChem CID 110012669) has the molecular formula C13H23ClN2O2 and a molecular weight of 274.79 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride
PubChem CID110012669
Molecular FormulaC13H23ClN2O2
Molecular Weight274.79 g/mol
Exact Mass274.14
IUPAC Name2-(cyclopropylamino)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride
SMILESCl.O=C(CNC1CC1)NC1C2CCC(C2)C1CO
InChIInChI=1S/C13H22N2O2.ClH/c16-7-11-8-1-2-9(5-8)13(11)15-12(17)6-14-10-3-4-10;/h8-11,13-14,16H,1-7H2,(H,15,17);1H
InChIKeyXAXCHRUAWOFDJK-UHFFFAOYSA-N
XLogP0.68
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(cyclopropylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66031562
N-cyclopropyl-2-(piperidin-4-ylamino)acetamide
CID 61016595
2-(cyclopropylamino)-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 60842326
4-[[2-(cyclopropylamino)-2-oxoethyl]amino]cyclohexane-1-carboxamide
CID 54914189
2-(cyclopropylamino)-N-(2-ethylcyclopropyl)acetamide
CID 103843959
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 75393319
[3-(cyclobutylamino)-2-bicyclo[2.2.1]heptanyl]methanol
CID 130671349
2-(cyclopentylamino)-N-(3-methylcyclopentyl)acetamide
CID 114546089
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(cyclopropylamino)acetamide
CID 60687389
N-cyclopropyl-2-[(3,4-dimethylcyclohexyl)amino]acetamide
CID 64732207
2-(cyclopropylamino)-N-(1-ethylsulfonylpiperidin-4-yl)acetamide
CID 61274504
2-(cyclopentylamino)-N-(1,1-dioxothian-4-yl)acetamide
CID 60847953

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride?
The IUPAC name of 2-(cyclopropylamino)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride (CID 110012669) is 2-(cyclopropylamino)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(cyclopropylamino)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride?
The canonical SMILES for 2-(cyclopropylamino)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride is Cl.O=C(CNC1CC1)NC1C2CCC(C2)C1CO.
What is the InChIKey of 2-(cyclopropylamino)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride?
The InChIKey is XAXCHRUAWOFDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2.ClH/c16-7-11-8-1-2-9(5-8)13(11)15-12(17)6-14-10-3-4-10;/h8-11,13-14,16H,1-7H2,(H,15,17);1H.
What are the key properties of 2-(cyclopropylamino)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride?
2-(cyclopropylamino)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride has a molecular weight of 274.79 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]acetamide;hydrochloride is sourced from PubChem (CID 110012669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).