(2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one

C16H23FN2O2 — CID 61165503

IUPAC(2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H23FN2O2/c1-3-11(2)15(18)16(20)19-8-9-21-14(10-19)12-4-6-13(17)7-5-12/h4-7,11,14-15H,3,8-10,18H2,1-2H3/t11-,14?,15-/m0/s1
InChIKeyYULAJEFHKVMWNW-NGKXAEKTSA-N
MW294.37 g/mol
LogP2.10
Rot. Bonds4

About (2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one

(2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one (PubChem CID 61165503) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is (2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one.

Molecular Properties

Compound Name(2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one
PubChem CID61165503
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name(2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C16H23FN2O2/c1-3-11(2)15(18)16(20)19-8-9-21-14(10-19)12-4-6-13(17)7-5-12/h4-7,11,14-15H,3,8-10,18H2,1-2H3/t11-,14?,15-/m0/s1
InChIKeyYULAJEFHKVMWNW-NGKXAEKTSA-N
XLogP2.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one
CID 60963891
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one;hydrochloride
CID 119770437
(2R)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119112319
2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 107904527
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
(2R)-4-[(2S,3S)-2-amino-3-methylpentanoyl]morpholine-2-carboxamide
CID 124591529
2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-2-methylbutan-1-one
CID 79806023
(2S,3S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylpentan-1-one
CID 81203815
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]benzamide
CID 55564010
N-[1-[2-(4-fluorophenyl)morpholin-4-yl]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 71934061
(2R)-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(1,2,4-triazol-1-yl)propan-1-one
CID 94021616

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one?
The IUPAC name of (2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one (CID 61165503) is (2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one.
What is the SMILES notation for (2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one?
The canonical SMILES for (2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one is CC[C@H](C)[C@H](N)C(=O)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of (2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one?
The InChIKey is YULAJEFHKVMWNW-NGKXAEKTSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-11(2)15(18)16(20)19-8-9-21-14(10-19)12-4-6-13(17)7-5-12/h4-7,11,14-15H,3,8-10,18H2,1-2H3/t11-,14?,15-/m0/s1.
What are the key properties of (2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one?
(2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one has a molecular weight of 294.37 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one is sourced from PubChem (CID 61165503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).