ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate

C16H23NO3 — CID 97356994

IUPACethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate
SMILESCCOC(=O)[C@@H](CCc1ccccc1)N1CCOCC1
InChIInChI=1S/C16H23NO3/c1-2-20-16(18)15(17-10-12-19-13-11-17)9-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3/t15-/m1/s1
InChIKeyJCYYVEDNDKQEEV-OAHLLOKOSA-N
MW277.36 g/mol
LogP1.88
Rot. Bonds6

About ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate

ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate (PubChem CID 97356994) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate.

Molecular Properties

Compound Nameethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate
PubChem CID97356994
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate
SMILESCCOC(=O)[C@@H](CCc1ccccc1)N1CCOCC1
InChIInChI=1S/C16H23NO3/c1-2-20-16(18)15(17-10-12-19-13-11-17)9-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3/t15-/m1/s1
InChIKeyJCYYVEDNDKQEEV-OAHLLOKOSA-N
XLogP1.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-[7-tert-butyl-4,10-bis[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]-4-phenylbutanoate
CID 155007175
ethyl 3-morpholin-4-yl-5-phenylpentanoate
CID 64528218
4-ethoxy-3-morpholin-4-yl-4-oxobutanoic acid
CID 3312061
ethyl 2-morpholin-4-ylnonanoate;hydrochloride
CID 117066801
3-morpholin-4-yl-4-oxo-4-phenylmethoxybutanoic acid
CID 2943012
ethyl (2S,3S)-2,3-dimorpholin-4-yl-3-phenylpropanoate
CID 680324
ethyl (2R,3S)-3-amino-2-morpholin-4-yl-3-phenylpropanoate
CID 101092086
4-(4-bromophenyl)-2-morpholin-4-ylbutanoic acid
CID 84608477
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
methyl (2R)-2-morpholin-4-yl-3-phenylmethoxypropanoate
CID 140841569
ethyl 2-[(4S)-4-methyl-2,5-dioxo-1,3-oxazolidin-3-yl]-4-phenylbutanoate
CID 58897697
2-morpholin-4-yl-1-phenylhexan-1-one;hydrochloride
CID 54599189

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate?
The IUPAC name of ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate (CID 97356994) is ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate.
What is the SMILES notation for ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate?
The canonical SMILES for ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate is CCOC(=O)[C@@H](CCc1ccccc1)N1CCOCC1.
What is the InChIKey of ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate?
The InChIKey is JCYYVEDNDKQEEV-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23NO3/c1-2-20-16(18)15(17-10-12-19-13-11-17)9-8-14-6-4-3-5-7-14/h3-7,15H,2,8-13H2,1H3/t15-/m1/s1.
What are the key properties of ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate?
ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate has a molecular weight of 277.36 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate is sourced from PubChem (CID 97356994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).