(3S)-3-amino-1-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-3-phenylpropan-1-one

C16H22N2O2 — CID 99850208

IUPAC(3S)-3-amino-1-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-3-phenylpropan-1-one
SMILESN[C@@H](CC(=O)N1CC[C@@]2(CCOC2)C1)c1ccccc1
InChIInChI=1S/C16H22N2O2/c17-14(13-4-2-1-3-5-13)10-15(19)18-8-6-16(11-18)7-9-20-12-16/h1-5,14H,6-12,17H2/t14-,16+/m0/s1
InChIKeyRVJQCDJBVJEHSH-GOEBONIOSA-N
MW274.36 g/mol
LogP1.72
Rot. Bonds3

About (3S)-3-amino-1-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-3-phenylpropan-1-one

(3S)-3-amino-1-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-3-phenylpropan-1-one (PubChem CID 99850208) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (3S)-3-amino-1-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name(3S)-3-amino-1-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-3-phenylpropan-1-one
PubChem CID99850208
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(3S)-3-amino-1-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-3-phenylpropan-1-one
SMILESN[C@@H](CC(=O)N1CC[C@@]2(CCOC2)C1)c1ccccc1
InChIInChI=1S/C16H22N2O2/c17-14(13-4-2-1-3-5-13)10-15(19)18-8-6-16(11-18)7-9-20-12-16/h1-5,14H,6-12,17H2/t14-,16+/m0/s1
InChIKeyRVJQCDJBVJEHSH-GOEBONIOSA-N
XLogP1.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-amino-1-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-3-phenylpropan-1-one with MolForge

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Related Compounds

3-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one
CID 91659823
3-amino-2-methyl-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-phenylpropan-1-one
CID 119813640
N-[2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 97103334
3-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61430840
4-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pentan-1-one
CID 120563784
3-amino-3-phenyl-1-(3,3,4-trimethylpiperazin-1-yl)propan-1-one
CID 63633887
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952905
3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 119951631
3-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 24701184
2-(1-benzylpiperidin-4-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 125170778
3-amino-3-phenyl-1-thiomorpholin-4-ylpropan-1-one;hydrochloride
CID 71897861
4-(3-amino-3-phenylpropanoyl)piperazine-1-sulfonamide
CID 61041324

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-3-phenylpropan-1-one?
The IUPAC name of (3S)-3-amino-1-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-3-phenylpropan-1-one (CID 99850208) is (3S)-3-amino-1-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-3-phenylpropan-1-one.
What is the SMILES notation for (3S)-3-amino-1-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-3-phenylpropan-1-one?
The canonical SMILES for (3S)-3-amino-1-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-3-phenylpropan-1-one is N[C@@H](CC(=O)N1CC[C@@]2(CCOC2)C1)c1ccccc1.
What is the InChIKey of (3S)-3-amino-1-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-3-phenylpropan-1-one?
The InChIKey is RVJQCDJBVJEHSH-GOEBONIOSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-14(13-4-2-1-3-5-13)10-15(19)18-8-6-16(11-18)7-9-20-12-16/h1-5,14H,6-12,17H2/t14-,16+/m0/s1.
What are the key properties of (3S)-3-amino-1-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-3-phenylpropan-1-one?
(3S)-3-amino-1-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-3-phenylpropan-1-one has a molecular weight of 274.36 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 99850208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).