methyl 6-[[2-methyl-3-(methylamino)propanoyl]amino]hexanoate

C12H24N2O3 — CID 119686226

IUPACmethyl 6-[[2-methyl-3-(methylamino)propanoyl]amino]hexanoate
SMILESCNCC(C)C(=O)NCCCCCC(=O)OC
InChIInChI=1S/C12H24N2O3/c1-10(9-13-2)12(16)14-8-6-4-5-7-11(15)17-3/h10,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyHNSYSCHGFPRTIF-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.69
Rot. Bonds9

About methyl 6-[[2-methyl-3-(methylamino)propanoyl]amino]hexanoate

methyl 6-[[2-methyl-3-(methylamino)propanoyl]amino]hexanoate (PubChem CID 119686226) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 6-[[2-methyl-3-(methylamino)propanoyl]amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[[2-methyl-3-(methylamino)propanoyl]amino]hexanoate
PubChem CID119686226
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 6-[[2-methyl-3-(methylamino)propanoyl]amino]hexanoate
SMILESCNCC(C)C(=O)NCCCCCC(=O)OC
InChIInChI=1S/C12H24N2O3/c1-10(9-13-2)12(16)14-8-6-4-5-7-11(15)17-3/h10,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyHNSYSCHGFPRTIF-UHFFFAOYSA-N
XLogP0.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methoxypentyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119756762
methyl 6-(2-aminopropanoylamino)hexanoate;hydrochloride
CID 119269481
methyl 6-(2-acetamidopropanoylamino)hexanoate
CID 43404542
methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
CID 71625530
dimethyl dotriacontanedioate
CID 14325565
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl tricosanedioate
CID 12632762
N-(5,5-dimethylhexyl)-2-methyl-3-(methylamino)propanamide
CID 119775757
methyl 21-methyldocosanoate
CID 14178788
methyl 10-[(2-amino-3-sulfanylpropanoyl)amino]decanoate
CID 123593299
methyl 5-[[N'-methyl-N-(7-methyloctyl)carbamimidoyl]amino]pentanoate
CID 111204694
methyl 6-(2-phenylpropanoylamino)hexanoate
CID 104916813

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-methyl-3-(methylamino)propanoyl]amino]hexanoate?
The IUPAC name of methyl 6-[[2-methyl-3-(methylamino)propanoyl]amino]hexanoate (CID 119686226) is methyl 6-[[2-methyl-3-(methylamino)propanoyl]amino]hexanoate.
What is the SMILES notation for methyl 6-[[2-methyl-3-(methylamino)propanoyl]amino]hexanoate?
The canonical SMILES for methyl 6-[[2-methyl-3-(methylamino)propanoyl]amino]hexanoate is CNCC(C)C(=O)NCCCCCC(=O)OC.
What is the InChIKey of methyl 6-[[2-methyl-3-(methylamino)propanoyl]amino]hexanoate?
The InChIKey is HNSYSCHGFPRTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-10(9-13-2)12(16)14-8-6-4-5-7-11(15)17-3/h10,13H,4-9H2,1-3H3,(H,14,16).
What are the key properties of methyl 6-[[2-methyl-3-(methylamino)propanoyl]amino]hexanoate?
methyl 6-[[2-methyl-3-(methylamino)propanoyl]amino]hexanoate has a molecular weight of 244.33 g/mol, XLogP of 0.69, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-methyl-3-(methylamino)propanoyl]amino]hexanoate is sourced from PubChem (CID 119686226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).