3-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

C19H29N3O4 — CID 70777655

IUPAC3-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OCCN)c(=O)[nH]1
InChIInChI=1S/C19H29N3O4/c1-12(2)14-4-3-13(17(24)21-14)18(25)22-8-5-19(6-9-22)15(23)11-16(19)26-10-7-20/h3-4,12,15-16,23H,5-11,20H2,1-2H3,(H,21,24)/t15-,16+/m1/s1
InChIKeySPLOJMYGZMAJQS-CVEARBPZSA-N
MW363.46 g/mol
LogP0.83
Rot. Bonds5

About 3-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

3-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 70777655) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
PubChem CID70777655
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Name3-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OCCN)c(=O)[nH]1
InChIInChI=1S/C19H29N3O4/c1-12(2)14-4-3-13(17(24)21-14)18(25)22-8-5-19(6-9-22)15(23)11-16(19)26-10-7-20/h3-4,12,15-16,23H,5-11,20H2,1-2H3,(H,21,24)/t15-,16+/m1/s1
InChIKeySPLOJMYGZMAJQS-CVEARBPZSA-N
XLogP0.83
TPSA108.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (CID 70777655) is 3-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is CC(C)c1ccc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OCCN)c(=O)[nH]1.
What is the InChIKey of 3-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is SPLOJMYGZMAJQS-CVEARBPZSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-12(2)14-4-3-13(17(24)21-14)18(25)22-8-5-19(6-9-22)15(23)11-16(19)26-10-7-20/h3-4,12,15-16,23H,5-11,20H2,1-2H3,(H,21,24)/t15-,16+/m1/s1.
What are the key properties of 3-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
3-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 363.46 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonane-7-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 70777655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).