(2R)-1-[2-(1-carboxypropylamino)-2-oxoacetyl]piperidine-2-carboxylic acid

C12H18N2O6 — CID 79034631

IUPAC(2R)-1-[2-(1-carboxypropylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
SMILESCCC(NC(=O)C(=O)N1CCCC[C@@H]1C(=O)O)C(=O)O
InChIInChI=1S/C12H18N2O6/c1-2-7(11(17)18)13-9(15)10(16)14-6-4-3-5-8(14)12(19)20/h7-8H,2-6H2,1H3,(H,13,15)(H,17,18)(H,19,20)/t7?,8-/m1/s1
InChIKeyXKZICDPZXISNOE-BRFYHDHCSA-N
MW286.28 g/mol
LogP-0.57
Rot. Bonds4

About (2R)-1-[2-(1-carboxypropylamino)-2-oxoacetyl]piperidine-2-carboxylic acid

(2R)-1-[2-(1-carboxypropylamino)-2-oxoacetyl]piperidine-2-carboxylic acid (PubChem CID 79034631) has the molecular formula C12H18N2O6 and a molecular weight of 286.28 g/mol. Its IUPAC name is (2R)-1-[2-(1-carboxypropylamino)-2-oxoacetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(1-carboxypropylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
PubChem CID79034631
Molecular FormulaC12H18N2O6
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Name(2R)-1-[2-(1-carboxypropylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
SMILESCCC(NC(=O)C(=O)N1CCCC[C@@H]1C(=O)O)C(=O)O
InChIInChI=1S/C12H18N2O6/c1-2-7(11(17)18)13-9(15)10(16)14-6-4-3-5-8(14)12(19)20/h7-8H,2-6H2,1H3,(H,13,15)(H,17,18)(H,19,20)/t7?,8-/m1/s1
InChIKeyXKZICDPZXISNOE-BRFYHDHCSA-N
XLogP-0.57
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[2-[(1-carboxy-2-hydroxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
CID 66262675
(2R)-1-[2-[(1-carboxy-2-methoxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
CID 81084279
(2R)-1-[2-(1-carboxypropan-2-ylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79034849
(2R)-1-[2-(2-carboxyethylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79034718
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
1-(2-methylpentan-3-ylcarbamoyl)piperidine-2-carboxylic acid
CID 54954740
(2S)-1-(pentan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61187396
1-acetylpiperidine-2-carboxylic acid;ethane
CID 144674830
1-(2-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 16781860
N-butan-2-yl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108505442
1-(1-cyclohexylethylcarbamoyl)azepane-2-carboxylic acid
CID 64563711
1-[2-(carbamoylamino)-3-methylpentanoyl]piperidine-2-carboxylic acid
CID 43171082

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(1-carboxypropylamino)-2-oxoacetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(1-carboxypropylamino)-2-oxoacetyl]piperidine-2-carboxylic acid (CID 79034631) is (2R)-1-[2-(1-carboxypropylamino)-2-oxoacetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(1-carboxypropylamino)-2-oxoacetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(1-carboxypropylamino)-2-oxoacetyl]piperidine-2-carboxylic acid is CCC(NC(=O)C(=O)N1CCCC[C@@H]1C(=O)O)C(=O)O.
What is the InChIKey of (2R)-1-[2-(1-carboxypropylamino)-2-oxoacetyl]piperidine-2-carboxylic acid?
The InChIKey is XKZICDPZXISNOE-BRFYHDHCSA-N. The full InChI is InChI=1S/C12H18N2O6/c1-2-7(11(17)18)13-9(15)10(16)14-6-4-3-5-8(14)12(19)20/h7-8H,2-6H2,1H3,(H,13,15)(H,17,18)(H,19,20)/t7?,8-/m1/s1.
What are the key properties of (2R)-1-[2-(1-carboxypropylamino)-2-oxoacetyl]piperidine-2-carboxylic acid?
(2R)-1-[2-(1-carboxypropylamino)-2-oxoacetyl]piperidine-2-carboxylic acid has a molecular weight of 286.28 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(1-carboxypropylamino)-2-oxoacetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 79034631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).