(2S)-5-methoxy-2-(morpholine-2-carbonylamino)-5-oxopentanoic acid

C11H18N2O6 — CID 107824146

IUPAC(2S)-5-methoxy-2-(morpholine-2-carbonylamino)-5-oxopentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)C1CNCCO1)C(=O)O
InChIInChI=1S/C11H18N2O6/c1-18-9(14)3-2-7(11(16)17)13-10(15)8-6-12-4-5-19-8/h7-8,12H,2-6H2,1H3,(H,13,15)(H,16,17)/t7-,8?/m0/s1
InChIKeyHZOALKANRRRBJK-JAMMHHFISA-N
MW274.27 g/mol
LogP-1.50
Rot. Bonds6

About (2S)-5-methoxy-2-(morpholine-2-carbonylamino)-5-oxopentanoic acid

(2S)-5-methoxy-2-(morpholine-2-carbonylamino)-5-oxopentanoic acid (PubChem CID 107824146) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is (2S)-5-methoxy-2-(morpholine-2-carbonylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-methoxy-2-(morpholine-2-carbonylamino)-5-oxopentanoic acid
PubChem CID107824146
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name(2S)-5-methoxy-2-(morpholine-2-carbonylamino)-5-oxopentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)C1CNCCO1)C(=O)O
InChIInChI=1S/C11H18N2O6/c1-18-9(14)3-2-7(11(16)17)13-10(15)8-6-12-4-5-19-8/h7-8,12H,2-6H2,1H3,(H,13,15)(H,16,17)/t7-,8?/m0/s1
InChIKeyHZOALKANRRRBJK-JAMMHHFISA-N
XLogP-1.50
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(morpholine-2-carbonylamino)pentanoic acid
CID 103869931
(2R)-2-(1,4-dioxane-2-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 114004692
(2S)-5-methoxy-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114005134
methyl (2R)-2-(morpholine-2-carbonylamino)propanoate
CID 119781299
(2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 103870572
2-(bicyclo[4.1.0]heptane-7-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786592
(2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107820415
N-(1-morpholin-4-yl-1-oxobutan-2-yl)morpholine-2-carboxamide
CID 119810252
(2S)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
CID 107824344
(2R)-5-methoxy-5-oxo-2-(3-piperidin-3-ylpropanoylamino)pentanoic acid
CID 107824462
5-methoxy-2-[(4-methylcyclohexanecarbonyl)amino]-5-oxopentanoic acid
CID 82786795
2-hydroxy-4-(morpholine-2-carbonylamino)butanoic acid
CID 107836026

Frequently Asked Questions

What is the IUPAC name of (2S)-5-methoxy-2-(morpholine-2-carbonylamino)-5-oxopentanoic acid?
The IUPAC name of (2S)-5-methoxy-2-(morpholine-2-carbonylamino)-5-oxopentanoic acid (CID 107824146) is (2S)-5-methoxy-2-(morpholine-2-carbonylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-methoxy-2-(morpholine-2-carbonylamino)-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-methoxy-2-(morpholine-2-carbonylamino)-5-oxopentanoic acid is COC(=O)CC[C@H](NC(=O)C1CNCCO1)C(=O)O.
What is the InChIKey of (2S)-5-methoxy-2-(morpholine-2-carbonylamino)-5-oxopentanoic acid?
The InChIKey is HZOALKANRRRBJK-JAMMHHFISA-N. The full InChI is InChI=1S/C11H18N2O6/c1-18-9(14)3-2-7(11(16)17)13-10(15)8-6-12-4-5-19-8/h7-8,12H,2-6H2,1H3,(H,13,15)(H,16,17)/t7-,8?/m0/s1.
What are the key properties of (2S)-5-methoxy-2-(morpholine-2-carbonylamino)-5-oxopentanoic acid?
(2S)-5-methoxy-2-(morpholine-2-carbonylamino)-5-oxopentanoic acid has a molecular weight of 274.27 g/mol, XLogP of -1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methoxy-2-(morpholine-2-carbonylamino)-5-oxopentanoic acid is sourced from PubChem (CID 107824146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).