ethyl (2R,3S)-3-amino-2-morpholin-4-yl-3-phenylpropanoate

C15H22N2O3 — CID 101092086

IUPACethyl (2R,3S)-3-amino-2-morpholin-4-yl-3-phenylpropanoate
SMILESCCOC(=O)[C@@H]([C@@H](N)c1ccccc1)N1CCOCC1
InChIInChI=1S/C15H22N2O3/c1-2-20-15(18)14(17-8-10-19-11-9-17)13(16)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11,16H2,1H3/t13-,14+/m0/s1
InChIKeyZZMSNFCGUTYJGF-UONOGXRCSA-N
MW278.35 g/mol
LogP0.95
Rot. Bonds5

About ethyl (2R,3S)-3-amino-2-morpholin-4-yl-3-phenylpropanoate

ethyl (2R,3S)-3-amino-2-morpholin-4-yl-3-phenylpropanoate (PubChem CID 101092086) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is ethyl (2R,3S)-3-amino-2-morpholin-4-yl-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2R,3S)-3-amino-2-morpholin-4-yl-3-phenylpropanoate
PubChem CID101092086
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Nameethyl (2R,3S)-3-amino-2-morpholin-4-yl-3-phenylpropanoate
SMILESCCOC(=O)[C@@H]([C@@H](N)c1ccccc1)N1CCOCC1
InChIInChI=1S/C15H22N2O3/c1-2-20-15(18)14(17-8-10-19-11-9-17)13(16)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11,16H2,1H3/t13-,14+/m0/s1
InChIKeyZZMSNFCGUTYJGF-UONOGXRCSA-N
XLogP0.95
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S,3S)-2,3-dimorpholin-4-yl-3-phenylpropanoate
CID 680324
ethyl (2R)-2-morpholin-4-yl-4-phenylbutanoate
CID 97356994
ethyl (2S,3R)-2-(2-hydroxyanilino)-3-morpholin-4-yl-3-phenylpropanoate
CID 101092113
(3S,4S)-3,4-dimorpholin-4-yl-4-phenylbutan-2-one
CID 680065
ethyl (2R,3S)-3-amino-2-methyl-3-phenylpropanoate
CID 142202479
1-morpholin-4-yl-1-phenylheptan-2-one
CID 102574890
ethyl (2S)-2-morpholin-4-yl-2-pyridin-4-ylacetate
CID 124585393
(2R,3S)-1-(4-butoxyphenyl)-2,3-dimorpholin-4-yl-3-phenylpropan-1-one
CID 92759233
triethoxy-(2-morpholin-4-yl-2-phenylethyl)silane
CID 68744744
ethyl 2-morpholin-4-ium-4-yl-2-phenylacetate
CID 3435189
ethyl N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]carbamate
CID 110286950
ethyl 3-morpholin-4-yl-5-phenylpentanoate
CID 64528218

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-3-amino-2-morpholin-4-yl-3-phenylpropanoate?
The IUPAC name of ethyl (2R,3S)-3-amino-2-morpholin-4-yl-3-phenylpropanoate (CID 101092086) is ethyl (2R,3S)-3-amino-2-morpholin-4-yl-3-phenylpropanoate.
What is the SMILES notation for ethyl (2R,3S)-3-amino-2-morpholin-4-yl-3-phenylpropanoate?
The canonical SMILES for ethyl (2R,3S)-3-amino-2-morpholin-4-yl-3-phenylpropanoate is CCOC(=O)[C@@H]([C@@H](N)c1ccccc1)N1CCOCC1.
What is the InChIKey of ethyl (2R,3S)-3-amino-2-morpholin-4-yl-3-phenylpropanoate?
The InChIKey is ZZMSNFCGUTYJGF-UONOGXRCSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-20-15(18)14(17-8-10-19-11-9-17)13(16)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11,16H2,1H3/t13-,14+/m0/s1.
What are the key properties of ethyl (2R,3S)-3-amino-2-morpholin-4-yl-3-phenylpropanoate?
ethyl (2R,3S)-3-amino-2-morpholin-4-yl-3-phenylpropanoate has a molecular weight of 278.35 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-3-amino-2-morpholin-4-yl-3-phenylpropanoate is sourced from PubChem (CID 101092086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).