methyl 2-methyl-2-[4-(methylamino)butanoylamino]pentanoate

C12H24N2O3 — CID 119729099

IUPACmethyl 2-methyl-2-[4-(methylamino)butanoylamino]pentanoate
SMILESCCCC(C)(NC(=O)CCCNC)C(=O)OC
InChIInChI=1S/C12H24N2O3/c1-5-8-12(2,11(16)17-4)14-10(15)7-6-9-13-3/h13H,5-9H2,1-4H3,(H,14,15)
InChIKeyLJCYZLBKBRFMSQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.83
Rot. Bonds8

About methyl 2-methyl-2-[4-(methylamino)butanoylamino]pentanoate

methyl 2-methyl-2-[4-(methylamino)butanoylamino]pentanoate (PubChem CID 119729099) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 2-methyl-2-[4-(methylamino)butanoylamino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[4-(methylamino)butanoylamino]pentanoate
PubChem CID119729099
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 2-methyl-2-[4-(methylamino)butanoylamino]pentanoate
SMILESCCCC(C)(NC(=O)CCCNC)C(=O)OC
InChIInChI=1S/C12H24N2O3/c1-5-8-12(2,11(16)17-4)14-10(15)7-6-9-13-3/h13H,5-9H2,1-4H3,(H,14,15)
InChIKeyLJCYZLBKBRFMSQ-UHFFFAOYSA-N
XLogP0.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.83
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

methyl 2-(3-methoxypropanoylamino)-2-methylpentanoate
CID 62591168
methyl 2-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate
CID 43431441
methyl 2-methyl-2-(propylcarbamoylamino)pentanoate
CID 43624107
methyl 2-[(4-amino-3-methoxybutanoyl)amino]-2-methylpentanoate;hydrochloride
CID 120589059
methyl 2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpentanoate
CID 103021738
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
methyl 2-(hydroxyamino)-2-methylpentanoate
CID 131859710
methyl 2-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoate
CID 43431502
2-(4-aminobutanoylamino)-2-methylpentanoic acid
CID 61159882
methyl 2-methyl-2-(propan-2-ylcarbamoylamino)pentanoate
CID 43624086
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-2-methylpentanoate
CID 43423685
methyl 2-methyl-2-[[2-(3-methylphenyl)acetyl]amino]pentanoate
CID 62388212

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[4-(methylamino)butanoylamino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[4-(methylamino)butanoylamino]pentanoate (CID 119729099) is methyl 2-methyl-2-[4-(methylamino)butanoylamino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[4-(methylamino)butanoylamino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[4-(methylamino)butanoylamino]pentanoate is CCCC(C)(NC(=O)CCCNC)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[4-(methylamino)butanoylamino]pentanoate?
The InChIKey is LJCYZLBKBRFMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-8-12(2,11(16)17-4)14-10(15)7-6-9-13-3/h13H,5-9H2,1-4H3,(H,14,15).
What are the key properties of methyl 2-methyl-2-[4-(methylamino)butanoylamino]pentanoate?
methyl 2-methyl-2-[4-(methylamino)butanoylamino]pentanoate has a molecular weight of 244.33 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[4-(methylamino)butanoylamino]pentanoate is sourced from PubChem (CID 119729099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).