(2R)-1-[2-[carboxymethyl(ethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid

C12H18N2O6 — CID 79035023

IUPAC(2R)-1-[2-[carboxymethyl(ethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
SMILESCCN(CC(=O)O)C(=O)C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C12H18N2O6/c1-2-13(7-9(15)16)10(17)11(18)14-6-4-3-5-8(14)12(19)20/h8H,2-7H2,1H3,(H,15,16)(H,19,20)/t8-/m1/s1
InChIKeyIWBVXQWRJOLTDL-MRVPVSSYSA-N
MW286.28 g/mol
LogP-0.61
Rot. Bonds4

About (2R)-1-[2-[carboxymethyl(ethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid

(2R)-1-[2-[carboxymethyl(ethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid (PubChem CID 79035023) has the molecular formula C12H18N2O6 and a molecular weight of 286.28 g/mol. Its IUPAC name is (2R)-1-[2-[carboxymethyl(ethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-[carboxymethyl(ethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
PubChem CID79035023
Molecular FormulaC12H18N2O6
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Name(2R)-1-[2-[carboxymethyl(ethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
SMILESCCN(CC(=O)O)C(=O)C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C12H18N2O6/c1-2-13(7-9(15)16)10(17)11(18)14-6-4-3-5-8(14)12(19)20/h8H,2-7H2,1H3,(H,15,16)(H,19,20)/t8-/m1/s1
InChIKeyIWBVXQWRJOLTDL-MRVPVSSYSA-N
XLogP-0.61
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
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-carboxyethyl(methyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79034946
1-[2-(dimethylamino)acetyl]piperidine-2-carboxylic acid
CID 79018258
1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61184167
(2S)-1-[ethyl(propyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195285
(2S)-1-[2-[carboxymethyl(propyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 70464697
1-[2-ethoxyethyl(ethyl)carbamoyl]piperidine-2-carboxylic acid
CID 55228473
1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441021
(2S)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 119366282
(2R)-1-[4-(diethylamino)-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
CID 119372155
1-[benzyl(ethyl)carbamoyl]piperidine-2-carboxylic acid
CID 61185364
2-[(2-carbamoylpiperidine-1-carbonyl)-(carboxymethyl)amino]acetic acid
CID 63645478
1-[1-hydroxypropan-2-yl(methyl)carbamoyl]azocane-2-carboxylic acid
CID 114239873

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[carboxymethyl(ethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-[carboxymethyl(ethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid (CID 79035023) is (2R)-1-[2-[carboxymethyl(ethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-[carboxymethyl(ethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-[carboxymethyl(ethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid is CCN(CC(=O)O)C(=O)C(=O)N1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[2-[carboxymethyl(ethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid?
The InChIKey is IWBVXQWRJOLTDL-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H18N2O6/c1-2-13(7-9(15)16)10(17)11(18)14-6-4-3-5-8(14)12(19)20/h8H,2-7H2,1H3,(H,15,16)(H,19,20)/t8-/m1/s1.
What are the key properties of (2R)-1-[2-[carboxymethyl(ethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid?
(2R)-1-[2-[carboxymethyl(ethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid has a molecular weight of 286.28 g/mol, XLogP of -0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[carboxymethyl(ethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 79035023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).