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

C11H16N2O6 — CID 79034718

IUPAC(2R)-1-[2-(2-carboxyethylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
SMILESO=C(O)CCNC(=O)C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C11H16N2O6/c14-8(15)4-5-12-9(16)10(17)13-6-2-1-3-7(13)11(18)19/h7H,1-6H2,(H,12,16)(H,14,15)(H,18,19)/t7-/m1/s1
InChIKeyNMUWVFPLZALSRN-SSDOTTSWSA-N
MW272.26 g/mol
LogP-0.96
Rot. Bonds4

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

(2R)-1-[2-(2-carboxyethylamino)-2-oxoacetyl]piperidine-2-carboxylic acid (PubChem CID 79034718) has the molecular formula C11H16N2O6 and a molecular weight of 272.26 g/mol. Its IUPAC name is (2R)-1-[2-(2-carboxyethylamino)-2-oxoacetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(2-carboxyethylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
PubChem CID79034718
Molecular FormulaC11H16N2O6
Molecular Weight272.26 g/mol
Exact Mass272.10
IUPAC Name(2R)-1-[2-(2-carboxyethylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
SMILESO=C(O)CCNC(=O)C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C11H16N2O6/c14-8(15)4-5-12-9(16)10(17)13-6-2-1-3-7(13)11(18)19/h7H,1-6H2,(H,12,16)(H,14,15)(H,18,19)/t7-/m1/s1
InChIKeyNMUWVFPLZALSRN-SSDOTTSWSA-N
XLogP-0.96
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-0.96
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

(2R)-1-[2-[2-(carboxymethoxy)ethylamino]-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79463023
(2R)-1-[2-(1-carboxypropan-2-ylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79034849
(2R)-1-[2-[2-carboxyethyl(methyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79034946
1-(3-acetamidopropanoyl)piperidine-2-carboxylic acid
CID 43355950
(2R)-1-[2-(1-carboxypropylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79034631
1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]piperidine-2-carboxylic acid
CID 79401803
(2S)-1-[2-[(1-carboxy-2-hydroxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
CID 66262675
(2R)-1-[2-[(1-carboxycyclobutyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
CID 81155833
1-(2-cyclopentyl-2-oxoacetyl)azepane-2-carboxylic acid
CID 58958728
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
(2S)-1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 66262991
(2R)-1-[2-[(1-carboxy-2-methoxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
CID 81084279

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2-carboxyethylamino)-2-oxoacetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(2-carboxyethylamino)-2-oxoacetyl]piperidine-2-carboxylic acid (CID 79034718) is (2R)-1-[2-(2-carboxyethylamino)-2-oxoacetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(2-carboxyethylamino)-2-oxoacetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(2-carboxyethylamino)-2-oxoacetyl]piperidine-2-carboxylic acid is O=C(O)CCNC(=O)C(=O)N1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[2-(2-carboxyethylamino)-2-oxoacetyl]piperidine-2-carboxylic acid?
The InChIKey is NMUWVFPLZALSRN-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H16N2O6/c14-8(15)4-5-12-9(16)10(17)13-6-2-1-3-7(13)11(18)19/h7H,1-6H2,(H,12,16)(H,14,15)(H,18,19)/t7-/m1/s1.
What are the key properties of (2R)-1-[2-(2-carboxyethylamino)-2-oxoacetyl]piperidine-2-carboxylic acid?
(2R)-1-[2-(2-carboxyethylamino)-2-oxoacetyl]piperidine-2-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of -0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2-carboxyethylamino)-2-oxoacetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 79034718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).