(2R)-5-methoxy-5-oxo-2-(piperidin-4-ylcarbamoylamino)pentanoic acid

C12H21N3O5 — CID 107826516

IUPAC(2R)-5-methoxy-5-oxo-2-(piperidin-4-ylcarbamoylamino)pentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)NC1CCNCC1)C(=O)O
InChIInChI=1S/C12H21N3O5/c1-20-10(16)3-2-9(11(17)18)15-12(19)14-8-4-6-13-7-5-8/h8-9,13H,2-7H2,1H3,(H,17,18)(H2,14,15,19)/t9-/m1/s1
InChIKeyBIODWPSMFHUTEP-SECBINFHSA-N
MW287.32 g/mol
LogP-0.56
Rot. Bonds6

About (2R)-5-methoxy-5-oxo-2-(piperidin-4-ylcarbamoylamino)pentanoic acid

(2R)-5-methoxy-5-oxo-2-(piperidin-4-ylcarbamoylamino)pentanoic acid (PubChem CID 107826516) 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-4-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-5-oxo-2-(piperidin-4-ylcarbamoylamino)pentanoic acid
PubChem CID107826516
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name(2R)-5-methoxy-5-oxo-2-(piperidin-4-ylcarbamoylamino)pentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)NC1CCNCC1)C(=O)O
InChIInChI=1S/C12H21N3O5/c1-20-10(16)3-2-9(11(17)18)15-12(19)14-8-4-6-13-7-5-8/h8-9,13H,2-7H2,1H3,(H,17,18)(H2,14,15,19)/t9-/m1/s1
InChIKeyBIODWPSMFHUTEP-SECBINFHSA-N
XLogP-0.56
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-5-methoxy-5-oxo-2-(piperidin-4-ylcarbamoylamino)pentanoic acid
CID 107826517
(2S)-2-(piperidin-4-ylcarbamoylamino)pentanedioic acid
CID 61402901
(2S)-5-methoxy-5-oxo-2-[(1-oxothian-4-yl)carbamoylamino]pentanoic acid
CID 107829057
(2R)-5-methoxy-2-[(3-methylcyclobutyl)carbamoylamino]-5-oxopentanoic acid
CID 114005833
5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
CID 82786150
(2S)-2-[(3,3-dimethylcyclopentyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107829339
5-methoxy-5-oxo-2-[(2-piperidin-4-yloxyacetyl)amino]pentanoic acid
CID 82781715
(2S)-5-methoxy-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114005134
(2R)-2-(cyclobutylcarbamoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 106931687
(2R)-2-[3-(cyclopropylamino)propylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107826543
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
(2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 103870572

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-5-oxo-2-(piperidin-4-ylcarbamoylamino)pentanoic acid?
The IUPAC name of (2R)-5-methoxy-5-oxo-2-(piperidin-4-ylcarbamoylamino)pentanoic acid (CID 107826516) is (2R)-5-methoxy-5-oxo-2-(piperidin-4-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-5-oxo-2-(piperidin-4-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2R)-5-methoxy-5-oxo-2-(piperidin-4-ylcarbamoylamino)pentanoic acid is COC(=O)CC[C@@H](NC(=O)NC1CCNCC1)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-5-oxo-2-(piperidin-4-ylcarbamoylamino)pentanoic acid?
The InChIKey is BIODWPSMFHUTEP-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-20-10(16)3-2-9(11(17)18)15-12(19)14-8-4-6-13-7-5-8/h8-9,13H,2-7H2,1H3,(H,17,18)(H2,14,15,19)/t9-/m1/s1.
What are the key properties of (2R)-5-methoxy-5-oxo-2-(piperidin-4-ylcarbamoylamino)pentanoic acid?
(2R)-5-methoxy-5-oxo-2-(piperidin-4-ylcarbamoylamino)pentanoic acid has a molecular weight of 287.32 g/mol, XLogP of -0.56, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-5-oxo-2-(piperidin-4-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 107826516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).