3-amino-2-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide

C12H20N2O2 — CID 106114303

IUPAC3-amino-2-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide
SMILESCOC(CN)C(=O)NC1C2C3CCC(C3)C12
InChIInChI=1S/C12H20N2O2/c1-16-8(5-13)12(15)14-11-9-6-2-3-7(4-6)10(9)11/h6-11H,2-5,13H2,1H3,(H,14,15)
InChIKeyPJBKAEHGWOTILP-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.12
Rot. Bonds4

About 3-amino-2-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide

3-amino-2-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide (PubChem CID 106114303) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide
PubChem CID106114303
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-amino-2-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide
SMILESCOC(CN)C(=O)NC1C2C3CCC(C3)C12
InChIInChI=1S/C12H20N2O2/c1-16-8(5-13)12(15)14-11-9-6-2-3-7(4-6)10(9)11/h6-11H,2-5,13H2,1H3,(H,14,15)
InChIKeyPJBKAEHGWOTILP-UHFFFAOYSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)pentanamide
CID 113315069
3-amino-2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 106111386
(2S)-2-amino-3-methyl-N-(3-tricyclo[3.2.1.02,4]octanyl)butanamide
CID 103798202
3-amino-N-(2-ethylcyclopropyl)-2-methoxypropanamide
CID 106114319
3-amino-2,2-dimethyl-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide
CID 103813103
3-amino-N-(2,3-dimethylcyclopentyl)-2-methoxypropanamide
CID 106113007
(2S)-2-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)hexanamide
CID 113304839
3-amino-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-methoxypropanamide
CID 106113351
2-cyano-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide
CID 103767079
3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methoxypropanamide
CID 106135074
3-amino-N-(cyclohexylmethyl)-2-methoxypropanamide
CID 106111277
2-propan-2-yloxy-N-(3-tricyclo[3.2.1.02,4]octanyl)acetamide
CID 103767092

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide?
The IUPAC name of 3-amino-2-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide (CID 106114303) is 3-amino-2-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide is COC(CN)C(=O)NC1C2C3CCC(C3)C12.
What is the InChIKey of 3-amino-2-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide?
The InChIKey is PJBKAEHGWOTILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-16-8(5-13)12(15)14-11-9-6-2-3-7(4-6)10(9)11/h6-11H,2-5,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-2-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide?
3-amino-2-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide has a molecular weight of 224.30 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)propanamide is sourced from PubChem (CID 106114303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).