methyl 6-[(5-amino-4-oxopentanoyl)amino]-5-oxohexanoate

C12H20N2O5 — CID 157367237

IUPACmethyl 6-[(5-amino-4-oxopentanoyl)amino]-5-oxohexanoate
SMILESCOC(=O)CCCC(=O)CNC(=O)CCC(=O)CN
InChIInChI=1S/C12H20N2O5/c1-19-12(18)4-2-3-10(16)8-14-11(17)6-5-9(15)7-13/h2-8,13H2,1H3,(H,14,17)
InChIKeyGNLJAOCPMQSWCN-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.68
Rot. Bonds10

About methyl 6-[(5-amino-4-oxopentanoyl)amino]-5-oxohexanoate

methyl 6-[(5-amino-4-oxopentanoyl)amino]-5-oxohexanoate (PubChem CID 157367237) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 6-[(5-amino-4-oxopentanoyl)amino]-5-oxohexanoate.

Molecular Properties

Compound Namemethyl 6-[(5-amino-4-oxopentanoyl)amino]-5-oxohexanoate
PubChem CID157367237
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Namemethyl 6-[(5-amino-4-oxopentanoyl)amino]-5-oxohexanoate
SMILESCOC(=O)CCCC(=O)CNC(=O)CCC(=O)CN
InChIInChI=1S/C12H20N2O5/c1-19-12(18)4-2-3-10(16)8-14-11(17)6-5-9(15)7-13/h2-8,13H2,1H3,(H,14,17)
InChIKeyGNLJAOCPMQSWCN-UHFFFAOYSA-N
XLogP-0.68
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 7-amino-6-oxoheptanoate
CID 86034752
methyl 3-aminopropanoate;methyl 5-oxo-6-(4-oxohexanoylamino)hexanoate;2-(4-oxohexanoylamino)acetic acid;hydrochloride
CID 157215876
methyl 8-amino-7-oxooctanoate
CID 23251276
tert-butyl 2-[(5-amino-4-oxopentanoyl)amino]acetate;6-methoxy-6-oxohexanoic acid;methyl 6-[[2,5-dioxo-5-(2-oxopropylamino)pentyl]amino]-6-oxohexanoate
CID 157116767
methyl 5-amino-4-oxopentanoate chloride
CID 53313200
methyl 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoate
CID 10798751
methyl 6-oxo-6-(2-oxopropylamino)hexanoate
CID 166976916
methyl 5-[(3,3-dimethyl-2-oxobutyl)amino]-5-oxopentanoate
CID 77231289
methyl 4-[(4-methoxy-4-oxobutyl)amino]-4-oxobutanoate
CID 108808749
2-amino-N-(5-amino-2-oxopentyl)acetamide
CID 141063651
dimethyl pentanedioate;hydrochloride
CID 175168861
methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate
CID 3243567

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(5-amino-4-oxopentanoyl)amino]-5-oxohexanoate?
The IUPAC name of methyl 6-[(5-amino-4-oxopentanoyl)amino]-5-oxohexanoate (CID 157367237) is methyl 6-[(5-amino-4-oxopentanoyl)amino]-5-oxohexanoate.
What is the SMILES notation for methyl 6-[(5-amino-4-oxopentanoyl)amino]-5-oxohexanoate?
The canonical SMILES for methyl 6-[(5-amino-4-oxopentanoyl)amino]-5-oxohexanoate is COC(=O)CCCC(=O)CNC(=O)CCC(=O)CN.
What is the InChIKey of methyl 6-[(5-amino-4-oxopentanoyl)amino]-5-oxohexanoate?
The InChIKey is GNLJAOCPMQSWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-19-12(18)4-2-3-10(16)8-14-11(17)6-5-9(15)7-13/h2-8,13H2,1H3,(H,14,17).
What are the key properties of methyl 6-[(5-amino-4-oxopentanoyl)amino]-5-oxohexanoate?
methyl 6-[(5-amino-4-oxopentanoyl)amino]-5-oxohexanoate has a molecular weight of 272.30 g/mol, XLogP of -0.68, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(5-amino-4-oxopentanoyl)amino]-5-oxohexanoate is sourced from PubChem (CID 157367237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).