methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate

C13H23N3O3 — CID 83991990

IUPACmethyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate
SMILESCOC(=O)CC1CC(NC2CC2)CN(CC(N)=O)C1
InChIInChI=1S/C13H23N3O3/c1-19-13(18)5-9-4-11(15-10-2-3-10)7-16(6-9)8-12(14)17/h9-11,15H,2-8H2,1H3,(H2,14,17)
InChIKeyUSTBVHIACFWIRN-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.52
Rot. Bonds6

About methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate

methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate (PubChem CID 83991990) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate
PubChem CID83991990
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Namemethyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate
SMILESCOC(=O)CC1CC(NC2CC2)CN(CC(N)=O)C1
InChIInChI=1S/C13H23N3O3/c1-19-13(18)5-9-4-11(15-10-2-3-10)7-16(6-9)8-12(14)17/h9-11,15H,2-8H2,1H3,(H2,14,17)
InChIKeyUSTBVHIACFWIRN-UHFFFAOYSA-N
XLogP-0.52
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclohexylamino)piperidin-3-yl]acetate
CID 83999600
methyl 2-[1-(2-amino-2-oxoethyl)-5-(propylamino)piperidin-3-yl]acetate
CID 83991353
methyl 2-[1-(cyanomethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate
CID 83991965
2-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]acetamide
CID 83991982
ethyl 2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]acetate
CID 83991501
ethyl 2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetate
CID 83991946
2-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]acetamide
CID 83999592
2-[1-(2-amino-2-oxoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetic acid
CID 112543553
2-[1-(2-amino-2-oxoethyl)-5-(methylamino)piperidin-3-yl]acetic acid
CID 83990081
5-(cyclopropylamino)-1-(2-methoxy-2-oxoethyl)piperidine-3-carboxylic acid
CID 83991941
methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate
CID 83990197
2-[3-(cyclopropylamino)-5-ethylpiperidin-1-yl]acetic acid
CID 83991921

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate (CID 83991990) is methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate is COC(=O)CC1CC(NC2CC2)CN(CC(N)=O)C1.
What is the InChIKey of methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate?
The InChIKey is USTBVHIACFWIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-19-13(18)5-9-4-11(15-10-2-3-10)7-16(6-9)8-12(14)17/h9-11,15H,2-8H2,1H3,(H2,14,17).
What are the key properties of methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate?
methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate has a molecular weight of 269.34 g/mol, XLogP of -0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate is sourced from PubChem (CID 83991990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).