(2R)-1-[2-[(1-carboxy-2-methoxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid

C12H18N2O7 — CID 81084279

IUPAC(2R)-1-[2-[(1-carboxy-2-methoxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
SMILESCOCC(NC(=O)C(=O)N1CCCC[C@@H]1C(=O)O)C(=O)O
InChIInChI=1S/C12H18N2O7/c1-21-6-7(11(17)18)13-9(15)10(16)14-5-3-2-4-8(14)12(19)20/h7-8H,2-6H2,1H3,(H,13,15)(H,17,18)(H,19,20)/t7?,8-/m1/s1
InChIKeyPIKYRWILTRXAQQ-BRFYHDHCSA-N
MW302.28 g/mol
LogP-1.33
Rot. Bonds5

About (2R)-1-[2-[(1-carboxy-2-methoxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid

(2R)-1-[2-[(1-carboxy-2-methoxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid (PubChem CID 81084279) has the molecular formula C12H18N2O7 and a molecular weight of 302.28 g/mol. Its IUPAC name is (2R)-1-[2-[(1-carboxy-2-methoxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-[(1-carboxy-2-methoxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
PubChem CID81084279
Molecular FormulaC12H18N2O7
Molecular Weight302.28 g/mol
Exact Mass302.11
IUPAC Name(2R)-1-[2-[(1-carboxy-2-methoxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
SMILESCOCC(NC(=O)C(=O)N1CCCC[C@@H]1C(=O)O)C(=O)O
InChIInChI=1S/C12H18N2O7/c1-21-6-7(11(17)18)13-9(15)10(16)14-5-3-2-4-8(14)12(19)20/h7-8H,2-6H2,1H3,(H,13,15)(H,17,18)(H,19,20)/t7?,8-/m1/s1
InChIKeyPIKYRWILTRXAQQ-BRFYHDHCSA-N
XLogP-1.33
TPSA133.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
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': 'diketo_group', 'substructure': 'N/A'}

Analyze (2R)-1-[2-[(1-carboxy-2-methoxyethyl)amino]-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-(1-carboxypropylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79034631
(2S)-1-[2-[(1-carboxy-2-hydroxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid
CID 66262675
(2R)-1-[2-(1-carboxypropan-2-ylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79034849
2-[[2-(hydroxymethyl)piperidine-1-carbonyl]amino]-3-methoxypropanoic acid
CID 81084776
(2S)-1-[(2R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylic acid
CID 25067881
2-(cycloheptanecarbonylamino)-3-methoxypropanoic acid
CID 81077203
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
(2R)-1-[2-[2-(carboxymethoxy)ethylamino]-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79463023
2-(azepane-1-carbonylamino)-3-methoxypropanoic acid
CID 81077084
(2R)-1-[2-(2-carboxyethylamino)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 79034718
4-methoxy-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 62472702
1-acetylpiperidine-2-carboxylic acid;ethane
CID 144674830

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[(1-carboxy-2-methoxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-[(1-carboxy-2-methoxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid (CID 81084279) is (2R)-1-[2-[(1-carboxy-2-methoxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-[(1-carboxy-2-methoxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-[(1-carboxy-2-methoxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid is COCC(NC(=O)C(=O)N1CCCC[C@@H]1C(=O)O)C(=O)O.
What is the InChIKey of (2R)-1-[2-[(1-carboxy-2-methoxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid?
The InChIKey is PIKYRWILTRXAQQ-BRFYHDHCSA-N. The full InChI is InChI=1S/C12H18N2O7/c1-21-6-7(11(17)18)13-9(15)10(16)14-5-3-2-4-8(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-carboxy-2-methoxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid?
(2R)-1-[2-[(1-carboxy-2-methoxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid has a molecular weight of 302.28 g/mol, XLogP of -1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[(1-carboxy-2-methoxyethyl)amino]-2-oxoacetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 81084279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).