(2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one

C13H17BrN2O2 — CID 124591971

IUPAC(2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCO[C@@H](c2ccccc2Br)C1
InChIInChI=1S/C13H17BrN2O2/c1-9(15)13(17)16-6-7-18-12(8-16)10-4-2-3-5-11(10)14/h2-5,9,12H,6-8,15H2,1H3/t9-,12+/m0/s1
InChIKeyWTUFSCUYJYMMLR-JOYOIKCWSA-N
MW313.19 g/mol
LogP1.70
Rot. Bonds2

About (2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one

(2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one (PubChem CID 124591971) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is (2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one
PubChem CID124591971
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name(2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCO[C@@H](c2ccccc2Br)C1
InChIInChI=1S/C13H17BrN2O2/c1-9(15)13(17)16-6-7-18-12(8-16)10-4-2-3-5-11(10)14/h2-5,9,12H,6-8,15H2,1H3/t9-,12+/m0/s1
InChIKeyWTUFSCUYJYMMLR-JOYOIKCWSA-N
XLogP1.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]propanamide
CID 94823361
(2S)-2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propanoic acid
CID 124692219
3-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one;hydrochloride
CID 120500448
(2R)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119112319
[(2S)-2-(2-bromophenyl)morpholin-4-yl]-(furan-3-yl)methanone
CID 124571786
1-[2-(2-methoxyphenyl)morpholin-4-yl]-2-methylpropan-1-one
CID 167278438
2-amino-1-[2-(2-fluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668203
(2R)-2-(2-bromophenyl)-N-prop-2-enylmorpholine-4-carboxamide
CID 95313388
2-cyclopropyl-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110609387
[(2R)-2-(2-bromophenyl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124571795
(2S)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]butanoic acid
CID 99833548
(2S)-2-amino-1-[(2R)-2-(2-methylphenyl)morpholin-4-yl]-4-methylsulfanylbutan-1-one
CID 124595664

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one (CID 124591971) is (2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one is C[C@H](N)C(=O)N1CCO[C@@H](c2ccccc2Br)C1.
What is the InChIKey of (2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one?
The InChIKey is WTUFSCUYJYMMLR-JOYOIKCWSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-9(15)13(17)16-6-7-18-12(8-16)10-4-2-3-5-11(10)14/h2-5,9,12H,6-8,15H2,1H3/t9-,12+/m0/s1.
What are the key properties of (2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one?
(2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one has a molecular weight of 313.19 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 124591971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).