3-amino-N-[6-[2-(5-cyclopropyl-1,2-oxazol-3-yl)-2-oxoethyl]spiro[3.3]heptan-2-yl]propanamide

C18H25N3O3 — CID 157410514

IUPAC3-amino-N-[6-[2-(5-cyclopropyl-1,2-oxazol-3-yl)-2-oxoethyl]spiro[3.3]heptan-2-yl]propanamide
SMILESNCCC(=O)NC1CC2(CC(CC(=O)c3cc(C4CC4)on3)C2)C1
InChIInChI=1S/C18H25N3O3/c19-4-3-17(23)20-13-9-18(10-13)7-11(8-18)5-15(22)14-6-16(24-21-14)12-1-2-12/h6,11-13H,1-5,7-10,19H2,(H,20,23)
InChIKeyBOFPTWBGJJSEHM-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.15
Rot. Bonds7

About 3-amino-N-[6-[2-(5-cyclopropyl-1,2-oxazol-3-yl)-2-oxoethyl]spiro[3.3]heptan-2-yl]propanamide

3-amino-N-[6-[2-(5-cyclopropyl-1,2-oxazol-3-yl)-2-oxoethyl]spiro[3.3]heptan-2-yl]propanamide (PubChem CID 157410514) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-amino-N-[6-[2-(5-cyclopropyl-1,2-oxazol-3-yl)-2-oxoethyl]spiro[3.3]heptan-2-yl]propanamide.

Molecular Properties

Compound Name3-amino-N-[6-[2-(5-cyclopropyl-1,2-oxazol-3-yl)-2-oxoethyl]spiro[3.3]heptan-2-yl]propanamide
PubChem CID157410514
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name3-amino-N-[6-[2-(5-cyclopropyl-1,2-oxazol-3-yl)-2-oxoethyl]spiro[3.3]heptan-2-yl]propanamide
SMILESNCCC(=O)NC1CC2(CC(CC(=O)c3cc(C4CC4)on3)C2)C1
InChIInChI=1S/C18H25N3O3/c19-4-3-17(23)20-13-9-18(10-13)7-11(8-18)5-15(22)14-6-16(24-21-14)12-1-2-12/h6,11-13H,1-5,7-10,19H2,(H,20,23)
InChIKeyBOFPTWBGJJSEHM-UHFFFAOYSA-N
XLogP2.15
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-[2-(5-cyclopropyl-1,2-oxazol-3-yl)-2-oxoethyl]spiro[3.3]heptan-2-yl]propanamide?
The IUPAC name of 3-amino-N-[6-[2-(5-cyclopropyl-1,2-oxazol-3-yl)-2-oxoethyl]spiro[3.3]heptan-2-yl]propanamide (CID 157410514) is 3-amino-N-[6-[2-(5-cyclopropyl-1,2-oxazol-3-yl)-2-oxoethyl]spiro[3.3]heptan-2-yl]propanamide.
What is the SMILES notation for 3-amino-N-[6-[2-(5-cyclopropyl-1,2-oxazol-3-yl)-2-oxoethyl]spiro[3.3]heptan-2-yl]propanamide?
The canonical SMILES for 3-amino-N-[6-[2-(5-cyclopropyl-1,2-oxazol-3-yl)-2-oxoethyl]spiro[3.3]heptan-2-yl]propanamide is NCCC(=O)NC1CC2(CC(CC(=O)c3cc(C4CC4)on3)C2)C1.
What is the InChIKey of 3-amino-N-[6-[2-(5-cyclopropyl-1,2-oxazol-3-yl)-2-oxoethyl]spiro[3.3]heptan-2-yl]propanamide?
The InChIKey is BOFPTWBGJJSEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c19-4-3-17(23)20-13-9-18(10-13)7-11(8-18)5-15(22)14-6-16(24-21-14)12-1-2-12/h6,11-13H,1-5,7-10,19H2,(H,20,23).
What are the key properties of 3-amino-N-[6-[2-(5-cyclopropyl-1,2-oxazol-3-yl)-2-oxoethyl]spiro[3.3]heptan-2-yl]propanamide?
3-amino-N-[6-[2-(5-cyclopropyl-1,2-oxazol-3-yl)-2-oxoethyl]spiro[3.3]heptan-2-yl]propanamide has a molecular weight of 331.42 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[6-[2-(5-cyclopropyl-1,2-oxazol-3-yl)-2-oxoethyl]spiro[3.3]heptan-2-yl]propanamide is sourced from PubChem (CID 157410514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).