2-amino-N-(2-bicyclo[2.2.1]heptanyl)butanediamide;hydrochloride

C11H20ClN3O2 — CID 119957470

IUPAC2-amino-N-(2-bicyclo[2.2.1]heptanyl)butanediamide;hydrochloride
SMILESCl.NC(=O)CC(N)C(=O)NC1CC2CCC1C2
InChIInChI=1S/C11H19N3O2.ClH/c12-8(5-10(13)15)11(16)14-9-4-6-1-2-7(9)3-6;/h6-9H,1-5,12H2,(H2,13,15)(H,14,16);1H
InChIKeyQPIAFNIIRBVMTO-UHFFFAOYSA-N
MW261.75 g/mol
LogP-0.08
Rot. Bonds4

About 2-amino-N-(2-bicyclo[2.2.1]heptanyl)butanediamide;hydrochloride

2-amino-N-(2-bicyclo[2.2.1]heptanyl)butanediamide;hydrochloride (PubChem CID 119957470) has the molecular formula C11H20ClN3O2 and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-amino-N-(2-bicyclo[2.2.1]heptanyl)butanediamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-bicyclo[2.2.1]heptanyl)butanediamide;hydrochloride
PubChem CID119957470
Molecular FormulaC11H20ClN3O2
Molecular Weight261.75 g/mol
Exact Mass261.12
IUPAC Name2-amino-N-(2-bicyclo[2.2.1]heptanyl)butanediamide;hydrochloride
SMILESCl.NC(=O)CC(N)C(=O)NC1CC2CCC1C2
InChIInChI=1S/C11H19N3O2.ClH/c12-8(5-10(13)15)11(16)14-9-4-6-1-2-7(9)3-6;/h6-9H,1-5,12H2,(H2,13,15)(H,14,16);1H
InChIKeyQPIAFNIIRBVMTO-UHFFFAOYSA-N
XLogP-0.08
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide;hydrochloride
CID 119327587
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-4-methylsulfanylbutanamide
CID 104908561
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide
CID 79012677
[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea
CID 98511353
2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide
CID 77045509
2-amino-N-(2-methylcyclopentyl)butanediamide
CID 63281841
(2S)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-phenylpropanamide
CID 78995761
2-amino-N-[(1S,2S)-2-hydroxycyclohexyl]butanediamide
CID 107221602
2-amino-N-(2-methyloxolan-3-yl)butanediamide
CID 82729118
2-amino-N-(2-ethylcyclohexyl)butanediamide
CID 60847116
3-(2-bicyclo[2.2.1]heptanylamino)propanamide
CID 61309343
3-amino-N-[(1R,4S)-2-bicyclo[2.2.1]heptanyl]-4-cyclohexyl-2-hydroxybutanamide
CID 142647883

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bicyclo[2.2.1]heptanyl)butanediamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-bicyclo[2.2.1]heptanyl)butanediamide;hydrochloride (CID 119957470) is 2-amino-N-(2-bicyclo[2.2.1]heptanyl)butanediamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-bicyclo[2.2.1]heptanyl)butanediamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-bicyclo[2.2.1]heptanyl)butanediamide;hydrochloride is Cl.NC(=O)CC(N)C(=O)NC1CC2CCC1C2.
What is the InChIKey of 2-amino-N-(2-bicyclo[2.2.1]heptanyl)butanediamide;hydrochloride?
The InChIKey is QPIAFNIIRBVMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2.ClH/c12-8(5-10(13)15)11(16)14-9-4-6-1-2-7(9)3-6;/h6-9H,1-5,12H2,(H2,13,15)(H,14,16);1H.
What are the key properties of 2-amino-N-(2-bicyclo[2.2.1]heptanyl)butanediamide;hydrochloride?
2-amino-N-(2-bicyclo[2.2.1]heptanyl)butanediamide;hydrochloride has a molecular weight of 261.75 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bicyclo[2.2.1]heptanyl)butanediamide;hydrochloride is sourced from PubChem (CID 119957470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).