2-aminohexanedioic acid;methyl (2R)-6-oxopiperidine-2-carboxylate

C13H22N2O7 — CID 160976351

IUPAC2-aminohexanedioic acid;methyl (2R)-6-oxopiperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCC(=O)N1.NC(CCCC(=O)O)C(=O)O
InChIInChI=1S/C7H11NO3.C6H11NO4/c1-11-7(10)5-3-2-4-6(9)8-5;7-4(6(10)11)2-1-3-5(8)9/h5H,2-4H2,1H3,(H,8,9);4H,1-3,7H2,(H,8,9)(H,10,11)/t5-;/m1./s1
InChIKeySYXOTYDDNHFPGG-NUBCRITNSA-N
MW318.33 g/mol
LogP-0.52
Rot. Bonds6

About 2-aminohexanedioic acid;methyl (2R)-6-oxopiperidine-2-carboxylate

2-aminohexanedioic acid;methyl (2R)-6-oxopiperidine-2-carboxylate (PubChem CID 160976351) has the molecular formula C13H22N2O7 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-aminohexanedioic acid;methyl (2R)-6-oxopiperidine-2-carboxylate.

Molecular Properties

Compound Name2-aminohexanedioic acid;methyl (2R)-6-oxopiperidine-2-carboxylate
PubChem CID160976351
Molecular FormulaC13H22N2O7
Molecular Weight318.33 g/mol
Exact Mass318.14
IUPAC Name2-aminohexanedioic acid;methyl (2R)-6-oxopiperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCC(=O)N1.NC(CCCC(=O)O)C(=O)O
InChIInChI=1S/C7H11NO3.C6H11NO4/c1-11-7(10)5-3-2-4-6(9)8-5;7-4(6(10)11)2-1-3-5(8)9/h5H,2-4H2,1H3,(H,8,9);4H,1-3,7H2,(H,8,9)(H,10,11)/t5-;/m1./s1
InChIKeySYXOTYDDNHFPGG-NUBCRITNSA-N
XLogP-0.52
TPSA156.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S)-6-oxopiperidine-2-carboxylate;(2S)-6-oxopiperidine-2-carboxylic acid
CID 157328179
propan-2-yl (2R)-6-oxopiperidine-2-carboxylate
CID 131042024
(2S)-2-aminobutanedioic acid;(2S)-2-aminopentanedioic acid;5-oxopyrrolidine-2-carboxylic acid
CID 86566726
disodium;2-aminohexanedioic acid;hydride
CID 174674537
ethyl (2S)-5-oxopyrrolidine-2-carboxylate;methyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 159600459
(2S)-2-amino-7-methoxy-7-oxoheptanoic acid
CID 10679200
ethane;6-oxopiperidine-2-carboxylic acid
CID 143229288
2-[(2S)-5-oxopyrrolidine-2-carbonyl]oxynonanoic acid
CID 67829942
(2S)-2-aminohexanedioic acid;(2R)-2-amino-3-sulfanylpropanoic acid
CID 162161622
2-aminopentanoic acid;pentanoic acid
CID 158644900
2-aminohexanedioic acid;2-oxohexanedioic acid
CID 175488251
(2S)-2-amino-4-methylsulfanylbutanamide;5-oxopyrrolidine-2-carboxylic acid
CID 22857523

Frequently Asked Questions

What is the IUPAC name of 2-aminohexanedioic acid;methyl (2R)-6-oxopiperidine-2-carboxylate?
The IUPAC name of 2-aminohexanedioic acid;methyl (2R)-6-oxopiperidine-2-carboxylate (CID 160976351) is 2-aminohexanedioic acid;methyl (2R)-6-oxopiperidine-2-carboxylate.
What is the SMILES notation for 2-aminohexanedioic acid;methyl (2R)-6-oxopiperidine-2-carboxylate?
The canonical SMILES for 2-aminohexanedioic acid;methyl (2R)-6-oxopiperidine-2-carboxylate is COC(=O)[C@H]1CCCC(=O)N1.NC(CCCC(=O)O)C(=O)O.
What is the InChIKey of 2-aminohexanedioic acid;methyl (2R)-6-oxopiperidine-2-carboxylate?
The InChIKey is SYXOTYDDNHFPGG-NUBCRITNSA-N. The full InChI is InChI=1S/C7H11NO3.C6H11NO4/c1-11-7(10)5-3-2-4-6(9)8-5;7-4(6(10)11)2-1-3-5(8)9/h5H,2-4H2,1H3,(H,8,9);4H,1-3,7H2,(H,8,9)(H,10,11)/t5-;/m1./s1.
What are the key properties of 2-aminohexanedioic acid;methyl (2R)-6-oxopiperidine-2-carboxylate?
2-aminohexanedioic acid;methyl (2R)-6-oxopiperidine-2-carboxylate has a molecular weight of 318.33 g/mol, XLogP of -0.52, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminohexanedioic acid;methyl (2R)-6-oxopiperidine-2-carboxylate is sourced from PubChem (CID 160976351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).