(2R)-5-methoxy-2-(morpholin-4-ylcarbamoylamino)-5-oxopentanoic acid

C11H19N3O6 — CID 107828725

IUPAC(2R)-5-methoxy-2-(morpholin-4-ylcarbamoylamino)-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)NN1CCOCC1)C(=O)O
InChIInChI=1S/C11H19N3O6/c1-19-9(15)3-2-8(10(16)17)12-11(18)13-14-4-6-20-7-5-14/h8H,2-7H2,1H3,(H,16,17)(H2,12,13,18)/t8-/m1/s1
InChIKeyMIZCABCUBKOJDA-MRVPVSSYSA-N
MW289.29 g/mol
LogP-1.06
Rot. Bonds6

About (2R)-5-methoxy-2-(morpholin-4-ylcarbamoylamino)-5-oxopentanoic acid

(2R)-5-methoxy-2-(morpholin-4-ylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 107828725) has the molecular formula C11H19N3O6 and a molecular weight of 289.29 g/mol. Its IUPAC name is (2R)-5-methoxy-2-(morpholin-4-ylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-2-(morpholin-4-ylcarbamoylamino)-5-oxopentanoic acid
PubChem CID107828725
Molecular FormulaC11H19N3O6
Molecular Weight289.29 g/mol
Exact Mass289.13
IUPAC Name(2R)-5-methoxy-2-(morpholin-4-ylcarbamoylamino)-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)NN1CCOCC1)C(=O)O
InChIInChI=1S/C11H19N3O6/c1-19-9(15)3-2-8(10(16)17)12-11(18)13-14-4-6-20-7-5-14/h8H,2-7H2,1H3,(H,16,17)(H2,12,13,18)/t8-/m1/s1
InChIKeyMIZCABCUBKOJDA-MRVPVSSYSA-N
XLogP-1.06
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-5-methoxy-5-oxo-2-(piperidin-1-ylcarbamoylamino)pentanoic acid
CID 107828714
(2S)-4-methoxy-4-oxo-2-(piperidin-1-ylcarbamoylamino)butanoic acid
CID 83020386
(2S)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107826661
(2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
CID 107567456
(2S)-5-methoxy-5-oxo-2-[1-(oxolan-3-yl)ethylcarbamoylamino]pentanoic acid
CID 107829261
(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107829269
(2R)-5-methoxy-2-[[methyl(oxan-4-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 107826352
(2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107826511
(2S)-2-(azocane-1-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 107825972
(2S)-5-methoxy-2-[(4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107825523
(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 114005417
(2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107825526

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-2-(morpholin-4-ylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of (2R)-5-methoxy-2-(morpholin-4-ylcarbamoylamino)-5-oxopentanoic acid (CID 107828725) is (2R)-5-methoxy-2-(morpholin-4-ylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-2-(morpholin-4-ylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-methoxy-2-(morpholin-4-ylcarbamoylamino)-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)NN1CCOCC1)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-2-(morpholin-4-ylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is MIZCABCUBKOJDA-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19N3O6/c1-19-9(15)3-2-8(10(16)17)12-11(18)13-14-4-6-20-7-5-14/h8H,2-7H2,1H3,(H,16,17)(H2,12,13,18)/t8-/m1/s1.
What are the key properties of (2R)-5-methoxy-2-(morpholin-4-ylcarbamoylamino)-5-oxopentanoic acid?
(2R)-5-methoxy-2-(morpholin-4-ylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 289.29 g/mol, XLogP of -1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-2-(morpholin-4-ylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 107828725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).