methyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate

C12H24N2O3 — CID 65227489

IUPACmethyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate
SMILESCCCC(CN)C(=O)N(CCC)CC(=O)OC
InChIInChI=1S/C12H24N2O3/c1-4-6-10(8-13)12(16)14(7-5-2)9-11(15)17-3/h10H,4-9,13H2,1-3H3
InChIKeyLIRMAHPXJFDKKI-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.77
Rot. Bonds8

About methyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate

methyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate (PubChem CID 65227489) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate
PubChem CID65227489
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate
SMILESCCCC(CN)C(=O)N(CCC)CC(=O)OC
InChIInChI=1S/C12H24N2O3/c1-4-6-10(8-13)12(16)14(7-5-2)9-11(15)17-3/h10H,4-9,13H2,1-3H3
InChIKeyLIRMAHPXJFDKKI-UHFFFAOYSA-N
XLogP0.77
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-ethylhexanoyl(propyl)amino]acetate
CID 55006245
methyl 3-[2-(aminomethyl)pentanoyl-(2-methylpropyl)amino]propanoate
CID 65227098
methyl 2-[[(2S)-2-amino-3-methylpentanoyl]-propylamino]acetate
CID 61173929
methyl 2-[(4-amino-3-methoxybutanoyl)-propylamino]acetate
CID 103155156
N-(2-amino-2-sulfanylideneethyl)-N,2-dipropylpentanamide
CID 82985340
methyl 2-[2-ethylbutanoyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953627
methyl 2-(aminomethyl)pentanoate
CID 65220226
methyl 2-[3-aminobutanoyl(propyl)amino]acetate
CID 60946687
methyl 2-[[(2S)-2-amino-2-phenylacetyl]-propylamino]acetate
CID 93371927
ethyl 2-[2-(aminomethyl)butanoyl-(2-methoxyethyl)amino]acetate
CID 65227093
methyl 2-[6-aminohexanoyl(propyl)amino]acetate
CID 54871850
methyl 2-[propyl-[2-(1,2,4-triazol-1-yl)propanoyl]amino]acetate
CID 55005715

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate?
The IUPAC name of methyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate (CID 65227489) is methyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate.
What is the SMILES notation for methyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate?
The canonical SMILES for methyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate is CCCC(CN)C(=O)N(CCC)CC(=O)OC.
What is the InChIKey of methyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate?
The InChIKey is LIRMAHPXJFDKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-6-10(8-13)12(16)14(7-5-2)9-11(15)17-3/h10H,4-9,13H2,1-3H3.
What are the key properties of methyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate?
methyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate has a molecular weight of 244.33 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(aminomethyl)pentanoyl-propylamino]acetate is sourced from PubChem (CID 65227489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).