methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate

C8H14N2O3 — CID 169193401

IUPACmethyl 2-amino-2-(2-oxopiperidin-4-yl)acetate
SMILESCOC(=O)C(N)C1CCNC(=O)C1
InChIInChI=1S/C8H14N2O3/c1-13-8(12)7(9)5-2-3-10-6(11)4-5/h5,7H,2-4,9H2,1H3,(H,10,11)
InChIKeyPUFSZANZCKTWEG-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.99
Rot. Bonds2

About methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate

methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate (PubChem CID 169193401) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(2-oxopiperidin-4-yl)acetate
PubChem CID169193401
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Namemethyl 2-amino-2-(2-oxopiperidin-4-yl)acetate
SMILESCOC(=O)C(N)C1CCNC(=O)C1
InChIInChI=1S/C8H14N2O3/c1-13-8(12)7(9)5-2-3-10-6(11)4-5/h5,7H,2-4,9H2,1H3,(H,10,11)
InChIKeyPUFSZANZCKTWEG-UHFFFAOYSA-N
XLogP-0.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(7-oxoazepan-4-yl)propanoic acid
CID 23532204
2-methyl-N-(2-oxopiperidin-4-yl)propanamide
CID 112534578
methyl 2-amino-2-(4-methylcyclohexyl)acetate
CID 64747912
N-[(2R)-1-aminopropan-2-yl]-2-oxopiperidine-4-carboxamide
CID 130874972
methyl (2S)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetate
CID 124706120
methyl (2R)-2-amino-2-(4,4-difluorocyclohexyl)acetate
CID 71742057
tetramethyl 2-piperidin-4-ylpropane-1,1,3,3-tetracarboxylate
CID 5232230
methyl 3-oxo-2-(5-oxopyrrolidin-2-yl)butanoate
CID 11830410
(2-oxopiperidin-4-yl) carbamate
CID 155270724
3-methyl-6-[2-(2-oxopiperidin-4-yl)propyl]oxane-3-carboxamide
CID 167085990
tert-butyl 3-[(1R)-1-amino-2-methoxy-2-oxoethyl]azetidine-1-carboxylate
CID 124585912
ethyl 2-[(2-oxoazepan-4-yl)amino]propanoate
CID 63903144

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate?
The IUPAC name of methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate (CID 169193401) is methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate.
What is the SMILES notation for methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate?
The canonical SMILES for methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate is COC(=O)C(N)C1CCNC(=O)C1.
What is the InChIKey of methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate?
The InChIKey is PUFSZANZCKTWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-13-8(12)7(9)5-2-3-10-6(11)4-5/h5,7H,2-4,9H2,1H3,(H,10,11).
What are the key properties of methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate?
methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate has a molecular weight of 186.21 g/mol, XLogP of -0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(2-oxopiperidin-4-yl)acetate is sourced from PubChem (CID 169193401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).