methyl 3-[2-(aminomethyl)pentanoyl-(2-methylpropyl)amino]propanoate

C14H28N2O3 — CID 65227098

IUPACmethyl 3-[2-(aminomethyl)pentanoyl-(2-methylpropyl)amino]propanoate
SMILESCCCC(CN)C(=O)N(CCC(=O)OC)CC(C)C
InChIInChI=1S/C14H28N2O3/c1-5-6-12(9-15)14(18)16(10-11(2)3)8-7-13(17)19-4/h11-12H,5-10,15H2,1-4H3
InChIKeyQUWSPVBSPYEYKB-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.41
Rot. Bonds9

About methyl 3-[2-(aminomethyl)pentanoyl-(2-methylpropyl)amino]propanoate

methyl 3-[2-(aminomethyl)pentanoyl-(2-methylpropyl)amino]propanoate (PubChem CID 65227098) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is methyl 3-[2-(aminomethyl)pentanoyl-(2-methylpropyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(aminomethyl)pentanoyl-(2-methylpropyl)amino]propanoate
PubChem CID65227098
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Namemethyl 3-[2-(aminomethyl)pentanoyl-(2-methylpropyl)amino]propanoate
SMILESCCCC(CN)C(=O)N(CCC(=O)OC)CC(C)C
InChIInChI=1S/C14H28N2O3/c1-5-6-12(9-15)14(18)16(10-11(2)3)8-7-13(17)19-4/h11-12H,5-10,15H2,1-4H3
InChIKeyQUWSPVBSPYEYKB-UHFFFAOYSA-N
XLogP1.41
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-(aminomethyl)butanoyl-(2-methylpropyl)amino]propanoate
CID 65227049
methyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate
CID 65227489
methyl 3-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]propanoate
CID 79012450
2-(aminomethyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 65227637
methyl 3-[(2-chloro-2-fluoroacetyl)-(2-methylpropyl)amino]propanoate
CID 166334711
methyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate
CID 79203299
methyl 3-[2-methoxyethyl(2-methylpentanoyl)amino]propanoate
CID 78959268
methyl 2-(aminomethyl)pentanoate
CID 65220226
methyl 3-[methyl(pentan-2-yl)amino]propanoate
CID 43430775
methyl 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62010902
methyl 3-[(3-aminooxolane-3-carbonyl)-(2-methylpropyl)amino]propanoate
CID 64890962
ethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate
CID 83043139

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(aminomethyl)pentanoyl-(2-methylpropyl)amino]propanoate?
The IUPAC name of methyl 3-[2-(aminomethyl)pentanoyl-(2-methylpropyl)amino]propanoate (CID 65227098) is methyl 3-[2-(aminomethyl)pentanoyl-(2-methylpropyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-(aminomethyl)pentanoyl-(2-methylpropyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-(aminomethyl)pentanoyl-(2-methylpropyl)amino]propanoate is CCCC(CN)C(=O)N(CCC(=O)OC)CC(C)C.
What is the InChIKey of methyl 3-[2-(aminomethyl)pentanoyl-(2-methylpropyl)amino]propanoate?
The InChIKey is QUWSPVBSPYEYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-6-12(9-15)14(18)16(10-11(2)3)8-7-13(17)19-4/h11-12H,5-10,15H2,1-4H3.
What are the key properties of methyl 3-[2-(aminomethyl)pentanoyl-(2-methylpropyl)amino]propanoate?
methyl 3-[2-(aminomethyl)pentanoyl-(2-methylpropyl)amino]propanoate has a molecular weight of 272.39 g/mol, XLogP of 1.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(aminomethyl)pentanoyl-(2-methylpropyl)amino]propanoate is sourced from PubChem (CID 65227098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).