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

C12H18N2O7 — CID 79463023

IUPAC(2R)-1-[2-[2-(carboxymethoxy)ethylamino]-2-oxoacetyl]piperidine-2-carboxylic acid
SMILESO=C(O)COCCNC(=O)C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C12H18N2O7/c15-9(16)7-21-6-4-13-10(17)11(18)14-5-2-1-3-8(14)12(19)20/h8H,1-7H2,(H,13,17)(H,15,16)(H,19,20)/t8-/m1/s1
InChIKeyLWIXTZVFQGRWDE-MRVPVSSYSA-N
MW302.28 g/mol
LogP-1.33
Rot. Bonds6

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

(2R)-1-[2-[2-(carboxymethoxy)ethylamino]-2-oxoacetyl]piperidine-2-carboxylic acid (PubChem CID 79463023) has the molecular formula C12H18N2O7 and a molecular weight of 302.28 g/mol. Its IUPAC name is (2R)-1-[2-[2-(carboxymethoxy)ethylamino]-2-oxoacetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-[2-(carboxymethoxy)ethylamino]-2-oxoacetyl]piperidine-2-carboxylic acid
PubChem CID79463023
Molecular FormulaC12H18N2O7
Molecular Weight302.28 g/mol
Exact Mass302.11
IUPAC Name(2R)-1-[2-[2-(carboxymethoxy)ethylamino]-2-oxoacetyl]piperidine-2-carboxylic acid
SMILESO=C(O)COCCNC(=O)C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C12H18N2O7/c15-9(16)7-21-6-4-13-10(17)11(18)14-5-2-1-3-8(14)12(19)20/h8H,1-7H2,(H,13,17)(H,15,16)(H,19,20)/t8-/m1/s1
InChIKeyLWIXTZVFQGRWDE-MRVPVSSYSA-N
XLogP-1.33
TPSA133.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-1-[2-[2-(carboxymethoxy)ethylamino]-2-oxoacetyl]piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-[2-(2-carboxyethylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79034718
(2R)-1-[2-(1-carboxypropan-2-ylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79034849
(2R)-1-[2-(2-aminoethoxy)acetyl]piperidine-2-carboxylic acid
CID 79479882
(2R)-1-[2-[(1-carboxy-2-methoxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
CID 81084279
2-[2-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonylamino)ethoxy]acetic acid
CID 82750342
(2S)-1-[2-[(1-carboxy-2-hydroxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
CID 66262675
1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 63833712
1-[3-(cyclopropylmethoxy)propylcarbamoyl]piperidine-2-carboxylic acid
CID 103994468
1-(2-propan-2-yloxyethylcarbamoyl)azepane-2-carboxylic acid
CID 113450642
1-(3-acetamidopropanoyl)piperidine-2-carboxylic acid
CID 43355950
1-(3-propoxypropylcarbamoyl)azepane-2-carboxylic acid
CID 82943948
(2R)-1-[2-(1-carboxypropylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79034631

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[2-(carboxymethoxy)ethylamino]-2-oxoacetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-[2-(carboxymethoxy)ethylamino]-2-oxoacetyl]piperidine-2-carboxylic acid (CID 79463023) is (2R)-1-[2-[2-(carboxymethoxy)ethylamino]-2-oxoacetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-[2-(carboxymethoxy)ethylamino]-2-oxoacetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-[2-(carboxymethoxy)ethylamino]-2-oxoacetyl]piperidine-2-carboxylic acid is O=C(O)COCCNC(=O)C(=O)N1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-[2-[2-(carboxymethoxy)ethylamino]-2-oxoacetyl]piperidine-2-carboxylic acid?
The InChIKey is LWIXTZVFQGRWDE-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H18N2O7/c15-9(16)7-21-6-4-13-10(17)11(18)14-5-2-1-3-8(14)12(19)20/h8H,1-7H2,(H,13,17)(H,15,16)(H,19,20)/t8-/m1/s1.
What are the key properties of (2R)-1-[2-[2-(carboxymethoxy)ethylamino]-2-oxoacetyl]piperidine-2-carboxylic acid?
(2R)-1-[2-[2-(carboxymethoxy)ethylamino]-2-oxoacetyl]piperidine-2-carboxylic acid has a molecular weight of 302.28 g/mol, XLogP of -1.33, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[2-(carboxymethoxy)ethylamino]-2-oxoacetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 79463023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).