methyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate

C9H16N2O3 — CID 117126374

IUPACmethyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate
SMILESCOC(=O)C(=O)NCC1CCCNC1
InChIInChI=1S/C9H16N2O3/c1-14-9(13)8(12)11-6-7-3-2-4-10-5-7/h7,10H,2-6H2,1H3,(H,11,12)
InChIKeyHAJZLCJCDJFYMD-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.72
Rot. Bonds2

About methyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate

methyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate (PubChem CID 117126374) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate
PubChem CID117126374
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate
SMILESCOC(=O)C(=O)NCC1CCCNC1
InChIInChI=1S/C9H16N2O3/c1-14-9(13)8(12)11-6-7-3-2-4-10-5-7/h7,10H,2-6H2,1H3,(H,11,12)
InChIKeyHAJZLCJCDJFYMD-UHFFFAOYSA-N
XLogP-0.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-methoxy-2-methyl-N-(piperidin-3-ylmethyl)prop-2-enamide
CID 143622632
(E)-2-methyl-N-[[(3R)-piperidin-3-yl]methyl]pent-2-enamide
CID 99978745
methyl (Z)-3-(piperidin-3-ylmethylamino)but-2-enoate
CID 67572373
1-(piperidin-3-ylmethyl)-3-propan-2-ylurea
CID 43208690
3-methoxy-2-methyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119461546
2-methoxy-N-(piperidin-3-ylmethyl)butanamide
CID 119461438
2,2,3,3-tetramethyl-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 66475790
methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
N-[[(3R)-piperidin-3-yl]methyl]cycloheptanecarboxamide
CID 94502290
N-(piperidin-3-ylmethyl)cyclohexanecarboxamide
CID 18069614
N'-(piperidin-3-ylmethyl)-N-propylbutanediamide
CID 119463445
2-amino-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 131134455

Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate?
The IUPAC name of methyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate (CID 117126374) is methyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate.
What is the SMILES notation for methyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate?
The canonical SMILES for methyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate is COC(=O)C(=O)NCC1CCCNC1.
What is the InChIKey of methyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate?
The InChIKey is HAJZLCJCDJFYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-14-9(13)8(12)11-6-7-3-2-4-10-5-7/h7,10H,2-6H2,1H3,(H,11,12).
What are the key properties of methyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate?
methyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate has a molecular weight of 200.24 g/mol, XLogP of -0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-2-(piperidin-3-ylmethylamino)acetate is sourced from PubChem (CID 117126374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).