(2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid

C13H22N2O6 — CID 115535493

IUPAC(2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid
SMILESCOC(=O)CC1CN(C(=O)N[C@@H](C(=O)O)C(C)C)CCO1
InChIInChI=1S/C13H22N2O6/c1-8(2)11(12(17)18)14-13(19)15-4-5-21-9(7-15)6-10(16)20-3/h8-9,11H,4-7H2,1-3H3,(H,14,19)(H,17,18)/t9?,11-/m1/s1
InChIKeyQFHKZZKXEXSRCA-HCCKASOXSA-N
MW302.33 g/mol
LogP0.07
Rot. Bonds5

About (2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid

(2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid (PubChem CID 115535493) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid
PubChem CID115535493
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name(2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid
SMILESCOC(=O)CC1CN(C(=O)N[C@@H](C(=O)O)C(C)C)CCO1
InChIInChI=1S/C13H22N2O6/c1-8(2)11(12(17)18)14-13(19)15-4-5-21-9(7-15)6-10(16)20-3/h8-9,11H,4-7H2,1-3H3,(H,14,19)(H,17,18)/t9?,11-/m1/s1
InChIKeyQFHKZZKXEXSRCA-HCCKASOXSA-N
XLogP0.07
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid (CID 115535493) is (2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid is COC(=O)CC1CN(C(=O)N[C@@H](C(=O)O)C(C)C)CCO1.
What is the InChIKey of (2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid?
The InChIKey is QFHKZZKXEXSRCA-HCCKASOXSA-N. The full InChI is InChI=1S/C13H22N2O6/c1-8(2)11(12(17)18)14-13(19)15-4-5-21-9(7-15)6-10(16)20-3/h8-9,11H,4-7H2,1-3H3,(H,14,19)(H,17,18)/t9?,11-/m1/s1.
What are the key properties of (2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid?
(2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid has a molecular weight of 302.33 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 115535493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).