methyl (2S,3R)-3-hydroxy-2-[(2-morpholin-2-ylacetyl)amino]butanoate

C11H20N2O5 — CID 142800097

IUPACmethyl (2S,3R)-3-hydroxy-2-[(2-morpholin-2-ylacetyl)amino]butanoate
SMILESCOC(=O)[C@@H](NC(=O)CC1CNCCO1)[C@@H](C)O
InChIInChI=1S/C11H20N2O5/c1-7(14)10(11(16)17-2)13-9(15)5-8-6-12-3-4-18-8/h7-8,10,12,14H,3-6H2,1-2H3,(H,13,15)/t7-,8?,10+/m1/s1
InChIKeyYBKPCYLQVSNKOH-SHTILUHOSA-N
MW260.29 g/mol
LogP-1.60
Rot. Bonds5

About methyl (2S,3R)-3-hydroxy-2-[(2-morpholin-2-ylacetyl)amino]butanoate

methyl (2S,3R)-3-hydroxy-2-[(2-morpholin-2-ylacetyl)amino]butanoate (PubChem CID 142800097) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl (2S,3R)-3-hydroxy-2-[(2-morpholin-2-ylacetyl)amino]butanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-3-hydroxy-2-[(2-morpholin-2-ylacetyl)amino]butanoate
PubChem CID142800097
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Namemethyl (2S,3R)-3-hydroxy-2-[(2-morpholin-2-ylacetyl)amino]butanoate
SMILESCOC(=O)[C@@H](NC(=O)CC1CNCCO1)[C@@H](C)O
InChIInChI=1S/C11H20N2O5/c1-7(14)10(11(16)17-2)13-9(15)5-8-6-12-3-4-18-8/h7-8,10,12,14H,3-6H2,1-2H3,(H,13,15)/t7-,8?,10+/m1/s1
InChIKeyYBKPCYLQVSNKOH-SHTILUHOSA-N
XLogP-1.60
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-3-hydroxy-2-[(2-morpholin-2-ylacetyl)amino]butanoate?
The IUPAC name of methyl (2S,3R)-3-hydroxy-2-[(2-morpholin-2-ylacetyl)amino]butanoate (CID 142800097) is methyl (2S,3R)-3-hydroxy-2-[(2-morpholin-2-ylacetyl)amino]butanoate.
What is the SMILES notation for methyl (2S,3R)-3-hydroxy-2-[(2-morpholin-2-ylacetyl)amino]butanoate?
The canonical SMILES for methyl (2S,3R)-3-hydroxy-2-[(2-morpholin-2-ylacetyl)amino]butanoate is COC(=O)[C@@H](NC(=O)CC1CNCCO1)[C@@H](C)O.
What is the InChIKey of methyl (2S,3R)-3-hydroxy-2-[(2-morpholin-2-ylacetyl)amino]butanoate?
The InChIKey is YBKPCYLQVSNKOH-SHTILUHOSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-7(14)10(11(16)17-2)13-9(15)5-8-6-12-3-4-18-8/h7-8,10,12,14H,3-6H2,1-2H3,(H,13,15)/t7-,8?,10+/m1/s1.
What are the key properties of methyl (2S,3R)-3-hydroxy-2-[(2-morpholin-2-ylacetyl)amino]butanoate?
methyl (2S,3R)-3-hydroxy-2-[(2-morpholin-2-ylacetyl)amino]butanoate has a molecular weight of 260.29 g/mol, XLogP of -1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-3-hydroxy-2-[(2-morpholin-2-ylacetyl)amino]butanoate is sourced from PubChem (CID 142800097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).