2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-N-methylacetamide

C9H17N3O3 — CID 112594273

IUPAC2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN1CC(CN)OC1=O
InChIInChI=1S/C9H17N3O3/c1-3-11(2)8(13)6-12-5-7(4-10)15-9(12)14/h7H,3-6,10H2,1-2H3
InChIKeyZTUARFNNSCNGDS-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.76
Rot. Bonds4

About 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-N-methylacetamide

2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-N-methylacetamide (PubChem CID 112594273) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-N-methylacetamide
PubChem CID112594273
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN1CC(CN)OC1=O
InChIInChI=1S/C9H17N3O3/c1-3-11(2)8(13)6-12-5-7(4-10)15-9(12)14/h7H,3-6,10H2,1-2H3
InChIKeyZTUARFNNSCNGDS-UHFFFAOYSA-N
XLogP-0.76
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
CID 112594210
5-(aminomethyl)-3-heptyl-1,3-oxazolidin-2-one
CID 112594228
5-(aminomethyl)-3-dodecyl-1,3-oxazolidin-2-one
CID 115944261
5-(aminomethyl)-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-oxazolidin-2-one
CID 59742701
5-(aminomethyl)-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-oxazolidin-2-one
CID 112594290
2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-(cyclopropylmethyl)acetamide
CID 112594309
2-(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
CID 23551399
5-(aminomethyl)-3-(3,3-dimethylbutyl)-1,3-oxazolidin-2-one
CID 112594212
2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-ethyl-N-methylacetamide
CID 104601260
5-(aminomethyl)-3-methyl-1,3-oxazolidin-2-one;hydrochloride
CID 71758299
(5S)-5-(aminomethyl)-3-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-oxazolidin-2-one
CID 115056598
(5S)-5-(aminomethyl)-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazolidin-2-one
CID 115056620

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-N-methylacetamide (CID 112594273) is 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CN1CC(CN)OC1=O.
What is the InChIKey of 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-N-methylacetamide?
The InChIKey is ZTUARFNNSCNGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-3-11(2)8(13)6-12-5-7(4-10)15-9(12)14/h7H,3-6,10H2,1-2H3.
What are the key properties of 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-N-methylacetamide?
2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-N-methylacetamide has a molecular weight of 215.25 g/mol, XLogP of -0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 112594273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).