(2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one

C16H24N2O2 — CID 103831208

IUPAC(2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-2-3-9-14(17)16(19)18-10-11-20-15(12-18)13-7-5-4-6-8-13/h4-8,14-15H,2-3,9-12,17H2,1H3/t14-,15?/m0/s1
InChIKeyZUUDSRFBDOAWBU-MLCCFXAWSA-N
MW276.38 g/mol
LogP2.10
Rot. Bonds5

About (2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one

(2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one (PubChem CID 103831208) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one
PubChem CID103831208
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one
SMILESCCCC[C@H](N)C(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-2-3-9-14(17)16(19)18-10-11-20-15(12-18)13-7-5-4-6-8-13/h4-8,14-15H,2-3,9-12,17H2,1H3/t14-,15?/m0/s1
InChIKeyZUUDSRFBDOAWBU-MLCCFXAWSA-N
XLogP2.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[(2R)-2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one
CID 97341648
2-amino-1-[2-(3-methoxyphenyl)morpholin-4-yl]hexan-1-one;hydrochloride
CID 75449543
2-amino-3-methoxy-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 120984965
(2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 107569033
2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one
CID 119302691
2-bromo-1-(2-phenylmorpholin-4-yl)butan-1-one
CID 62855050
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 86779755
(2S)-2-amino-1-(2-ethylmorpholin-4-yl)hexan-1-one
CID 103831207
2-amino-2-phenyl-1-(2-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119278824
N-[(2S)-1-oxo-1-(2-phenylmorpholin-4-yl)propan-2-yl]butane-1-sulfonamide
CID 110348267
2-amino-5-oxo-5-(2-phenylmorpholin-4-yl)pentanoic acid
CID 166748872
(2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one
CID 119747734

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one?
The IUPAC name of (2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one (CID 103831208) is (2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one?
The canonical SMILES for (2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one is CCCC[C@H](N)C(=O)N1CCOC(c2ccccc2)C1.
What is the InChIKey of (2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one?
The InChIKey is ZUUDSRFBDOAWBU-MLCCFXAWSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-3-9-14(17)16(19)18-10-11-20-15(12-18)13-7-5-4-6-8-13/h4-8,14-15H,2-3,9-12,17H2,1H3/t14-,15?/m0/s1.
What are the key properties of (2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one?
(2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(2-phenylmorpholin-4-yl)hexan-1-one is sourced from PubChem (CID 103831208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).