(2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one

C16H24N2O2 — CID 61148035

IUPAC(2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCCCCC1
InChIInChI=1S/C16H24N2O2/c17-15(12-13-6-8-14(19)9-7-13)16(20)18-10-4-2-1-3-5-11-18/h6-9,15,19H,1-5,10-12,17H2/t15-/m0/s1
InChIKeyYTHSRMNJDOLLIN-HNNXBMFYSA-N
MW276.38 g/mol
LogP2.05
Rot. Bonds3

About (2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one

(2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one (PubChem CID 61148035) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
PubChem CID61148035
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCCCCC1
InChIInChI=1S/C16H24N2O2/c17-15(12-13-6-8-14(19)9-7-13)16(20)18-10-4-2-1-3-5-11-18/h6-9,15,19H,1-5,10-12,17H2/t15-/m0/s1
InChIKeyYTHSRMNJDOLLIN-HNNXBMFYSA-N
XLogP2.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 76891869
(2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 59968912
(3S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 81121192
(3R)-1-[2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 103870220
1-[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidine-3-carboxamide
CID 104904525
(2S)-2-amino-3-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107222863
2-amino-3-(4-ethylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 116851361
(2R)-2-amino-3-(4-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 58648589
(2S)-2-amino-1-(azocan-1-yl)-3-(3,4-dihydroxyphenyl)propan-1-one
CID 61148033
2-amino-1-(4-hydroxy-4-methylazepan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 107404349
2-amino-3-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 76891872
(2S)-2-amino-3-(4-hydroxyphenyl)-1-(4-prop-2-ynylpiperazin-1-yl)propan-1-one
CID 61162867

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one?
The IUPAC name of (2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one (CID 61148035) is (2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one?
The canonical SMILES for (2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one is N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCCCCC1.
What is the InChIKey of (2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one?
The InChIKey is YTHSRMNJDOLLIN-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-15(12-13-6-8-14(19)9-7-13)16(20)18-10-4-2-1-3-5-11-18/h6-9,15,19H,1-5,10-12,17H2/t15-/m0/s1.
What are the key properties of (2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one?
(2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 61148035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).