methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate

C11H22N2O4 — CID 60719502

IUPACmethyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate
SMILESCOCCCNC(=O)C(C)NCCC(=O)OC
InChIInChI=1S/C11H22N2O4/c1-9(12-7-5-10(14)17-3)11(15)13-6-4-8-16-2/h9,12H,4-8H2,1-3H3,(H,13,15)
InChIKeyYXLYMCARNMXSRO-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.32
Rot. Bonds9

About methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate

methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate (PubChem CID 60719502) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate
PubChem CID60719502
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Namemethyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate
SMILESCOCCCNC(=O)C(C)NCCC(=O)OC
InChIInChI=1S/C11H22N2O4/c1-9(12-7-5-10(14)17-3)11(15)13-6-4-8-16-2/h9,12H,4-8H2,1-3H3,(H,13,15)
InChIKeyYXLYMCARNMXSRO-UHFFFAOYSA-N
XLogP-0.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxypropylamino)-N-pentylpropanamide
CID 43131874
N-(3-methoxypropyl)-2-(3-propoxypropylamino)propanamide
CID 82943912
2-[2-[di(propan-2-yl)amino]ethylamino]-N-(3-methoxypropyl)propanamide
CID 43113238
N-(3-methoxypropyl)-2-[(1-methylcyclopropyl)methylamino]propanamide
CID 103724771
N-(3-methoxypropyl)-2-(5-methylsulfanylpentylamino)propanamide
CID 114127252
N-(3-methoxypropyl)-2-(2-methylsulfanylpropylamino)propanamide
CID 115760932
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-N-(3-methoxypropyl)propanamide
CID 103966438
methyl 3-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]propanoate
CID 60672495
2-(2-cyclopentyloxyethylamino)-N-(3-methoxypropyl)propanamide
CID 55259532
2-hydroxy-N-(3-methoxypropyl)propanamide
CID 43558715
methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate
CID 60719528
N-(3-methoxypropyl)-2-[2-(2-methylphenyl)ethylamino]propanamide
CID 112724062

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate?
The IUPAC name of methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate (CID 60719502) is methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate.
What is the SMILES notation for methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate?
The canonical SMILES for methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate is COCCCNC(=O)C(C)NCCC(=O)OC.
What is the InChIKey of methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate?
The InChIKey is YXLYMCARNMXSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-9(12-7-5-10(14)17-3)11(15)13-6-4-8-16-2/h9,12H,4-8H2,1-3H3,(H,13,15).
What are the key properties of methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate?
methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate has a molecular weight of 246.31 g/mol, XLogP of -0.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]amino]propanoate is sourced from PubChem (CID 60719502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).