methyl 5-(methylamino)-2-[[2-(methylamino)acetyl]amino]-5-oxopentanoate;toluene

C17H27N3O4 — CID 177315880

IUPACmethyl 5-(methylamino)-2-[[2-(methylamino)acetyl]amino]-5-oxopentanoate;toluene
SMILESCNCC(=O)NC(CCC(=O)NC)C(=O)OC.Cc1ccccc1
InChIInChI=1S/C10H19N3O4.C7H8/c1-11-6-9(15)13-7(10(16)17-3)4-5-8(14)12-2;1-7-5-3-2-4-6-7/h7,11H,4-6H2,1-3H3,(H,12,14)(H,13,15);2-6H,1H3
InChIKeyQZXPZELBNOGNCV-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.38
Rot. Bonds7

About methyl 5-(methylamino)-2-[[2-(methylamino)acetyl]amino]-5-oxopentanoate;toluene

methyl 5-(methylamino)-2-[[2-(methylamino)acetyl]amino]-5-oxopentanoate;toluene (PubChem CID 177315880) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is methyl 5-(methylamino)-2-[[2-(methylamino)acetyl]amino]-5-oxopentanoate;toluene.

Molecular Properties

Compound Namemethyl 5-(methylamino)-2-[[2-(methylamino)acetyl]amino]-5-oxopentanoate;toluene
PubChem CID177315880
Molecular FormulaC17H27N3O4
Molecular Weight337.42 g/mol
Exact Mass337.20
IUPAC Namemethyl 5-(methylamino)-2-[[2-(methylamino)acetyl]amino]-5-oxopentanoate;toluene
SMILESCNCC(=O)NC(CCC(=O)NC)C(=O)OC.Cc1ccccc1
InChIInChI=1S/C10H19N3O4.C7H8/c1-11-6-9(15)13-7(10(16)17-3)4-5-8(14)12-2;1-7-5-3-2-4-6-7/h7,11H,4-6H2,1-3H3,(H,12,14)(H,13,15);2-6H,1H3
InChIKeyQZXPZELBNOGNCV-UHFFFAOYSA-N
XLogP0.38
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoate
CID 43229599
methyl 2-[[2-(methylamino)acetyl]amino]-2-phenylacetate
CID 23654473
3-methyl-1-(methylamino)butan-2-one;toluene
CID 142538750
methyl (2S)-5-(hydroxyamino)-2-[4-(4-methylphenyl)butanoylamino]-5-oxopentanoate
CID 91067270
N-methyl-4,4-diphenylbutanamide
CID 125470248
ethane;2-(methylamino)acetamide;toluene
CID 143083884
4-methoxy-2-[[2-(methylamino)acetyl]amino]butanoic acid
CID 62478643
ethane;methanol;2-(methylamino)acetamide;toluene
CID 176999193
methyl (2R)-2-(4-hydroxybutanoylamino)-3-phenylpropanoate
CID 170714633
methyl 4-[[2-(methylamino)acetyl]amino]-5-phenylpentanoate;hydrochloride
CID 120705550
methyl 2-methyl-3-oxopropanoate;toluene
CID 143054550
methyl (2S)-3-amino-2-[(2-phenylacetyl)amino]propanoate
CID 54366760

Frequently Asked Questions

What is the IUPAC name of methyl 5-(methylamino)-2-[[2-(methylamino)acetyl]amino]-5-oxopentanoate;toluene?
The IUPAC name of methyl 5-(methylamino)-2-[[2-(methylamino)acetyl]amino]-5-oxopentanoate;toluene (CID 177315880) is methyl 5-(methylamino)-2-[[2-(methylamino)acetyl]amino]-5-oxopentanoate;toluene.
What is the SMILES notation for methyl 5-(methylamino)-2-[[2-(methylamino)acetyl]amino]-5-oxopentanoate;toluene?
The canonical SMILES for methyl 5-(methylamino)-2-[[2-(methylamino)acetyl]amino]-5-oxopentanoate;toluene is CNCC(=O)NC(CCC(=O)NC)C(=O)OC.Cc1ccccc1.
What is the InChIKey of methyl 5-(methylamino)-2-[[2-(methylamino)acetyl]amino]-5-oxopentanoate;toluene?
The InChIKey is QZXPZELBNOGNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4.C7H8/c1-11-6-9(15)13-7(10(16)17-3)4-5-8(14)12-2;1-7-5-3-2-4-6-7/h7,11H,4-6H2,1-3H3,(H,12,14)(H,13,15);2-6H,1H3.
What are the key properties of methyl 5-(methylamino)-2-[[2-(methylamino)acetyl]amino]-5-oxopentanoate;toluene?
methyl 5-(methylamino)-2-[[2-(methylamino)acetyl]amino]-5-oxopentanoate;toluene has a molecular weight of 337.42 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(methylamino)-2-[[2-(methylamino)acetyl]amino]-5-oxopentanoate;toluene is sourced from PubChem (CID 177315880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).