methyl 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-2-oxoacetate

C9H14N2O4 — CID 112617343

IUPACmethyl 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C9H14N2O4/c1-11-5-6(3-4-7(11)12)10-8(13)9(14)15-2/h6H,3-5H2,1-2H3,(H,10,13)
InChIKeyQVOKJVMNTFXECX-UHFFFAOYSA-N
MW214.22 g/mol
LogP-1.10
Rot. Bonds1

About methyl 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-2-oxoacetate

methyl 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-2-oxoacetate (PubChem CID 112617343) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is methyl 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-2-oxoacetate
PubChem CID112617343
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Namemethyl 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C9H14N2O4/c1-11-5-6(3-4-7(11)12)10-8(13)9(14)15-2/h6H,3-5H2,1-2H3,(H,10,13)
InChIKeyQVOKJVMNTFXECX-UHFFFAOYSA-N
XLogP-1.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-methyl-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64667203
1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea
CID 115693464
5-[(3-methoxycyclobutyl)amino]-1-methylpiperidin-2-one
CID 104871603
2,3-dimethyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 103498588
4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 64655943
3-ethoxy-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]propanamide
CID 124575480
3-amino-N-(1-methyl-6-oxopiperidin-3-yl)oxolane-3-carboxamide
CID 64893018
methyl (E)-3-[(1-methyl-6-oxopiperidin-3-yl)amino]prop-2-enoate
CID 103252994
2-cyano-N-(1-methyl-6-oxopiperidin-3-yl)propanamide
CID 64669418
2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64836587
3,5-dihydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 103892579
tert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate
CID 106707504

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-2-oxoacetate?
The IUPAC name of methyl 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-2-oxoacetate (CID 112617343) is methyl 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-2-oxoacetate is COC(=O)C(=O)NC1CCC(=O)N(C)C1.
What is the InChIKey of methyl 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-2-oxoacetate?
The InChIKey is QVOKJVMNTFXECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-11-5-6(3-4-7(11)12)10-8(13)9(14)15-2/h6H,3-5H2,1-2H3,(H,10,13).
What are the key properties of methyl 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-2-oxoacetate?
methyl 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-2-oxoacetate has a molecular weight of 214.22 g/mol, XLogP of -1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methyl-6-oxopiperidin-3-yl)amino]-2-oxoacetate is sourced from PubChem (CID 112617343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).