methyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate

C12H22N2O3 — CID 54916660

IUPACmethyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate
SMILESCCC(N)C(=O)N1CCCCC1CC(=O)OC
InChIInChI=1S/C12H22N2O3/c1-3-10(13)12(16)14-7-5-4-6-9(14)8-11(15)17-2/h9-10H,3-8,13H2,1-2H3
InChIKeySCFKHUPCTDBAGA-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.67
Rot. Bonds4

About methyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate

methyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate (PubChem CID 54916660) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate
PubChem CID54916660
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate
SMILESCCC(N)C(=O)N1CCCCC1CC(=O)OC
InChIInChI=1S/C12H22N2O3/c1-3-10(13)12(16)14-7-5-4-6-9(14)8-11(15)17-2/h9-10H,3-8,13H2,1-2H3
InChIKeySCFKHUPCTDBAGA-UHFFFAOYSA-N
XLogP0.67
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-2-yl]acetate
CID 61156720
methyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate
CID 61157077
2-amino-1-(2-ethylazepan-1-yl)butan-1-one
CID 115734570
methyl 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-2-yl]acetate
CID 107471714
methyl 2-[1-[2-(carbamoylamino)-3-methylbutanoyl]piperidin-2-yl]acetate
CID 61009967
methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate
CID 60938498
methyl 2-[1-(ethylcarbamoyl)piperidin-2-yl]acetate
CID 61010980
methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate
CID 20713862
ethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 23251970
methyl 2-[1-(5-aminohexanoyl)piperidin-2-yl]acetate
CID 82852684
methyl 2-[1-(2-amino-2-thiophen-2-ylacetyl)piperidin-2-yl]acetate
CID 115286826
methyl 2-[1-(dimethylcarbamoyl)piperidin-2-yl]acetate
CID 79154755

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate (CID 54916660) is methyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate is CCC(N)C(=O)N1CCCCC1CC(=O)OC.
What is the InChIKey of methyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate?
The InChIKey is SCFKHUPCTDBAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-10(13)12(16)14-7-5-4-6-9(14)8-11(15)17-2/h9-10H,3-8,13H2,1-2H3.
What are the key properties of methyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate?
methyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate has a molecular weight of 242.32 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate is sourced from PubChem (CID 54916660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).