methyl (2R)-2-morpholin-4-yl-3-phenylmethoxypropanoate

C15H21NO4 — CID 140841569

IUPACmethyl (2R)-2-morpholin-4-yl-3-phenylmethoxypropanoate
SMILESCOC(=O)[C@@H](COCc1ccccc1)N1CCOCC1
InChIInChI=1S/C15H21NO4/c1-18-15(17)14(16-7-9-19-10-8-16)12-20-11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3/t14-/m1/s1
InChIKeyCINGOUIWMDYCJX-CQSZACIVSA-N
MW279.34 g/mol
LogP1.08
Rot. Bonds6

About methyl (2R)-2-morpholin-4-yl-3-phenylmethoxypropanoate

methyl (2R)-2-morpholin-4-yl-3-phenylmethoxypropanoate (PubChem CID 140841569) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl (2R)-2-morpholin-4-yl-3-phenylmethoxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-morpholin-4-yl-3-phenylmethoxypropanoate
PubChem CID140841569
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl (2R)-2-morpholin-4-yl-3-phenylmethoxypropanoate
SMILESCOC(=O)[C@@H](COCc1ccccc1)N1CCOCC1
InChIInChI=1S/C15H21NO4/c1-18-15(17)14(16-7-9-19-10-8-16)12-20-11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3/t14-/m1/s1
InChIKeyCINGOUIWMDYCJX-CQSZACIVSA-N
XLogP1.08
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4,7,10-tris[1-oxo-1,3-bis(phenylmethoxy)propan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]hex-5-enoate
CID 174273398
methyl 3-(3-methylphenyl)-2-morpholin-4-ylpropanoate
CID 25233392
3-morpholin-4-yl-4-oxo-4-phenylmethoxybutanoic acid
CID 2943012
methyl (2S)-2-[4-[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]piperazin-1-yl]-3-phenylpropanoate
CID 11090885
(2S)-3-phenylmethoxy-2-piperidin-1-ylpropanoic acid;hydrate
CID 158256817
methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 20833938
methyl (2R)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 119088438
methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 44630138
ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate
CID 97356994
benzyl 4-(3-amino-1-methoxy-1-oxopropan-2-yl)piperazine-1-carboxylate;dihydrochloride
CID 86675018
benzyl N-(2-morpholin-4-yl-3-phenylpropyl)carbamate
CID 110403830
methyl (E,2S)-6-(4-butoxyphenyl)-2-[4,7,10-tris[(2S)-1-oxo-1,3-bis(phenylmethoxy)propan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]hex-5-enoate
CID 165125432

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-morpholin-4-yl-3-phenylmethoxypropanoate?
The IUPAC name of methyl (2R)-2-morpholin-4-yl-3-phenylmethoxypropanoate (CID 140841569) is methyl (2R)-2-morpholin-4-yl-3-phenylmethoxypropanoate.
What is the SMILES notation for methyl (2R)-2-morpholin-4-yl-3-phenylmethoxypropanoate?
The canonical SMILES for methyl (2R)-2-morpholin-4-yl-3-phenylmethoxypropanoate is COC(=O)[C@@H](COCc1ccccc1)N1CCOCC1.
What is the InChIKey of methyl (2R)-2-morpholin-4-yl-3-phenylmethoxypropanoate?
The InChIKey is CINGOUIWMDYCJX-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21NO4/c1-18-15(17)14(16-7-9-19-10-8-16)12-20-11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3/t14-/m1/s1.
What are the key properties of methyl (2R)-2-morpholin-4-yl-3-phenylmethoxypropanoate?
methyl (2R)-2-morpholin-4-yl-3-phenylmethoxypropanoate has a molecular weight of 279.34 g/mol, XLogP of 1.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-morpholin-4-yl-3-phenylmethoxypropanoate is sourced from PubChem (CID 140841569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).