(2R)-5-methoxy-5-oxo-2-(piperidin-1-ylcarbamoylamino)pentanoic acid

C12H21N3O5 — CID 107828714

IUPAC(2R)-5-methoxy-5-oxo-2-(piperidin-1-ylcarbamoylamino)pentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)NN1CCCCC1)C(=O)O
InChIInChI=1S/C12H21N3O5/c1-20-10(16)6-5-9(11(17)18)13-12(19)14-15-7-3-2-4-8-15/h9H,2-8H2,1H3,(H,17,18)(H2,13,14,19)/t9-/m1/s1
InChIKeyGBLHRQNBLUSKEW-SECBINFHSA-N
MW287.32 g/mol
LogP0.09
Rot. Bonds6

About (2R)-5-methoxy-5-oxo-2-(piperidin-1-ylcarbamoylamino)pentanoic acid

(2R)-5-methoxy-5-oxo-2-(piperidin-1-ylcarbamoylamino)pentanoic acid (PubChem CID 107828714) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2R)-5-methoxy-5-oxo-2-(piperidin-1-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-5-oxo-2-(piperidin-1-ylcarbamoylamino)pentanoic acid
PubChem CID107828714
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name(2R)-5-methoxy-5-oxo-2-(piperidin-1-ylcarbamoylamino)pentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)NN1CCCCC1)C(=O)O
InChIInChI=1S/C12H21N3O5/c1-20-10(16)6-5-9(11(17)18)13-12(19)14-15-7-3-2-4-8-15/h9H,2-8H2,1H3,(H,17,18)(H2,13,14,19)/t9-/m1/s1
InChIKeyGBLHRQNBLUSKEW-SECBINFHSA-N
XLogP0.09
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-methoxy-4-oxo-2-(piperidin-1-ylcarbamoylamino)butanoic acid
CID 83020386
(2R)-5-methoxy-2-(morpholin-4-ylcarbamoylamino)-5-oxopentanoic acid
CID 107828725
(2R)-4-hydroxy-2-(piperidin-1-ylcarbamoylamino)butanoic acid
CID 107828713
(2S)-2-(azocane-1-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 107825972
(2R)-2-[(4-methylpiperazin-1-yl)carbamoylamino]pentanoic acid
CID 107567456
(2R)-5-methoxy-2-[(1-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
CID 107828105
(2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107826511
(2S)-2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107143266
(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
(2S)-5-methoxy-2-[(4-methylpiperazine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107825523
(2R)-5-methoxy-2-[(3-methylcyclobutyl)carbamoylamino]-5-oxopentanoic acid
CID 114005833

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-5-oxo-2-(piperidin-1-ylcarbamoylamino)pentanoic acid?
The IUPAC name of (2R)-5-methoxy-5-oxo-2-(piperidin-1-ylcarbamoylamino)pentanoic acid (CID 107828714) is (2R)-5-methoxy-5-oxo-2-(piperidin-1-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-5-oxo-2-(piperidin-1-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2R)-5-methoxy-5-oxo-2-(piperidin-1-ylcarbamoylamino)pentanoic acid is COC(=O)CC[C@@H](NC(=O)NN1CCCCC1)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-5-oxo-2-(piperidin-1-ylcarbamoylamino)pentanoic acid?
The InChIKey is GBLHRQNBLUSKEW-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-20-10(16)6-5-9(11(17)18)13-12(19)14-15-7-3-2-4-8-15/h9H,2-8H2,1H3,(H,17,18)(H2,13,14,19)/t9-/m1/s1.
What are the key properties of (2R)-5-methoxy-5-oxo-2-(piperidin-1-ylcarbamoylamino)pentanoic acid?
(2R)-5-methoxy-5-oxo-2-(piperidin-1-ylcarbamoylamino)pentanoic acid has a molecular weight of 287.32 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-5-oxo-2-(piperidin-1-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 107828714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).