methyl 2-[(2-oxopiperidin-3-yl)amino]acetate

C8H14N2O3 — CID 22906858

IUPACmethyl 2-[(2-oxopiperidin-3-yl)amino]acetate
SMILESCOC(=O)CNC1CCCNC1=O
InChIInChI=1S/C8H14N2O3/c1-13-7(11)5-10-6-3-2-4-9-8(6)12/h6,10H,2-5H2,1H3,(H,9,12)
InChIKeyNGEOUBDMMXXEHF-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.97
Rot. Bonds3

About methyl 2-[(2-oxopiperidin-3-yl)amino]acetate

methyl 2-[(2-oxopiperidin-3-yl)amino]acetate (PubChem CID 22906858) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl 2-[(2-oxopiperidin-3-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-oxopiperidin-3-yl)amino]acetate
PubChem CID22906858
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Namemethyl 2-[(2-oxopiperidin-3-yl)amino]acetate
SMILESCOC(=O)CNC1CCCNC1=O
InChIInChI=1S/C8H14N2O3/c1-13-7(11)5-10-6-3-2-4-9-8(6)12/h6,10H,2-5H2,1H3,(H,9,12)
InChIKeyNGEOUBDMMXXEHF-UHFFFAOYSA-N
XLogP-0.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylprop-2-enylamino)piperidin-2-one
CID 62331735
N-(3-methoxypropyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide
CID 55033154
N-cyclopropyl-2-[(2-oxopiperidin-3-yl)amino]acetamide
CID 62093607
3-(2-chloroprop-2-enylamino)piperidin-2-one
CID 62093427
N'-hydroxy-2-[(2-oxopiperidin-3-yl)amino]ethanimidamide
CID 77030299
ethyl 3-hydroxy-4-[(2-oxopiperidin-3-yl)amino]butanoate
CID 103248566
3-[(2-ethyl-2-hydroxybutyl)amino]piperidin-2-one
CID 114493018
2-(2-methoxyethylamino)-N-(2-oxopiperidin-3-yl)acetamide
CID 79281089
N-(2-cyanoethyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide
CID 62092690
2-methoxy-N-(2-oxopiperidin-3-yl)butanamide
CID 47478755
3-(cyclopentylmethylamino)azepan-2-one
CID 43317226
3-[(4-hydroxy-3,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 62093570

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-oxopiperidin-3-yl)amino]acetate?
The IUPAC name of methyl 2-[(2-oxopiperidin-3-yl)amino]acetate (CID 22906858) is methyl 2-[(2-oxopiperidin-3-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-oxopiperidin-3-yl)amino]acetate?
The canonical SMILES for methyl 2-[(2-oxopiperidin-3-yl)amino]acetate is COC(=O)CNC1CCCNC1=O.
What is the InChIKey of methyl 2-[(2-oxopiperidin-3-yl)amino]acetate?
The InChIKey is NGEOUBDMMXXEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-13-7(11)5-10-6-3-2-4-9-8(6)12/h6,10H,2-5H2,1H3,(H,9,12).
What are the key properties of methyl 2-[(2-oxopiperidin-3-yl)amino]acetate?
methyl 2-[(2-oxopiperidin-3-yl)amino]acetate has a molecular weight of 186.21 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-oxopiperidin-3-yl)amino]acetate is sourced from PubChem (CID 22906858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).