(2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one

C15H21BrN2O2 — CID 99702196

IUPAC(2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one
SMILESCC(C)[C@H](N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1
InChIInChI=1S/C15H21BrN2O2/c1-10(2)14(17)15(19)18-6-7-20-13(9-18)11-4-3-5-12(16)8-11/h3-5,8,10,13-14H,6-7,9,17H2,1-2H3/t13-,14+/m1/s1
InChIKeyTVNXFXQNMAQQJW-KGLIPLIRSA-N
MW341.25 g/mol
LogP2.33
Rot. Bonds3

About (2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one

(2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one (PubChem CID 99702196) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is (2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one
PubChem CID99702196
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name(2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one
SMILESCC(C)[C@H](N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1
InChIInChI=1S/C15H21BrN2O2/c1-10(2)14(17)15(19)18-6-7-20-13(9-18)11-4-3-5-12(16)8-11/h3-5,8,10,13-14H,6-7,9,17H2,1-2H3/t13-,14+/m1/s1
InChIKeyTVNXFXQNMAQQJW-KGLIPLIRSA-N
XLogP2.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[(2S)-2-(3-methoxyphenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99852551
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 86779755
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120667995
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441
2-[2-(3-bromophenyl)morpholin-4-yl]propanamide
CID 51102088
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119308203
3-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-phenylpropan-1-one
CID 119950790
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one;hydrochloride
CID 119770437
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride
CID 120590693
[4-(aminomethyl)phenyl]-[2-(3-bromophenyl)morpholin-4-yl]methanone
CID 119308192
[2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364402
1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one
CID 136526058

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one?
The IUPAC name of (2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one (CID 99702196) is (2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one?
The canonical SMILES for (2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one is CC(C)[C@H](N)C(=O)N1CCO[C@@H](c2cccc(Br)c2)C1.
What is the InChIKey of (2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one?
The InChIKey is TVNXFXQNMAQQJW-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10(2)14(17)15(19)18-6-7-20-13(9-18)11-4-3-5-12(16)8-11/h3-5,8,10,13-14H,6-7,9,17H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one?
(2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one has a molecular weight of 341.25 g/mol, XLogP of 2.33, 3 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-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one is sourced from PubChem (CID 99702196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).