3-(2-bicyclo[2.2.1]heptanylamino)propanamide

C10H18N2O — CID 61309343

IUPAC3-(2-bicyclo[2.2.1]heptanylamino)propanamide
SMILESNC(=O)CCNC1CC2CCC1C2
InChIInChI=1S/C10H18N2O/c11-10(13)3-4-12-9-6-7-1-2-8(9)5-7/h7-9,12H,1-6H2,(H2,11,13)
InChIKeyHVVYKPZCGTXKBN-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.64
Rot. Bonds4

About 3-(2-bicyclo[2.2.1]heptanylamino)propanamide

3-(2-bicyclo[2.2.1]heptanylamino)propanamide (PubChem CID 61309343) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylamino)propanamide.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylamino)propanamide
PubChem CID61309343
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-(2-bicyclo[2.2.1]heptanylamino)propanamide
SMILESNC(=O)CCNC1CC2CCC1C2
InChIInChI=1S/C10H18N2O/c11-10(13)3-4-12-9-6-7-1-2-8(9)5-7/h7-9,12H,1-6H2,(H2,11,13)
InChIKeyHVVYKPZCGTXKBN-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea
CID 98511353
N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
CID 61309746
(2S)-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol
CID 98118353
N-[3-(2-bicyclo[2.2.1]heptanylamino)propyl]acetamide
CID 70907454
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
6-(2-bicyclo[2.2.1]heptanylamino)hexan-1-ol
CID 115906734
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide
CID 14619230
methyl 2-(2-bicyclo[2.2.1]heptanylamino)acetate
CID 61309137
4-(2-bicyclo[2.2.1]heptanylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062762
(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine
CID 124526640
(1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 98119396
2-amino-N-(2-bicyclo[2.2.1]heptanyl)butanediamide;hydrochloride
CID 119957470

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylamino)propanamide?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylamino)propanamide (CID 61309343) is 3-(2-bicyclo[2.2.1]heptanylamino)propanamide.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylamino)propanamide?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylamino)propanamide is NC(=O)CCNC1CC2CCC1C2.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylamino)propanamide?
The InChIKey is HVVYKPZCGTXKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c11-10(13)3-4-12-9-6-7-1-2-8(9)5-7/h7-9,12H,1-6H2,(H2,11,13).
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylamino)propanamide?
3-(2-bicyclo[2.2.1]heptanylamino)propanamide has a molecular weight of 182.27 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylamino)propanamide is sourced from PubChem (CID 61309343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).