ethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate

C12H17N3O3 — CID 55057245

IUPACethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCc1cccc(C)n1
InChIInChI=1S/C12H17N3O3/c1-3-18-11(16)8-14-12(17)13-7-10-6-4-5-9(2)15-10/h4-6H,3,7-8H2,1-2H3,(H2,13,14,17)
InChIKeyRXOWMSWWWYSSBT-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.75
Rot. Bonds5

About ethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate

ethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate (PubChem CID 55057245) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is ethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate
PubChem CID55057245
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Nameethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCc1cccc(C)n1
InChIInChI=1S/C12H17N3O3/c1-3-18-11(16)8-14-12(17)13-7-10-6-4-5-9(2)15-10/h4-6H,3,7-8H2,1-2H3,(H2,13,14,17)
InChIKeyRXOWMSWWWYSSBT-UHFFFAOYSA-N
XLogP0.75
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[4-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate
CID 87009707
ethyl N-[2-methyl-3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate
CID 87044649
ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate
CID 79493406
ethyl 2-[(2-fluorophenyl)methylcarbamoylamino]acetate
CID 17174428
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
(2S,3S)-3-methyl-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 62306858
1-ethyl-3-[[6-[(ethylcarbamoylamino)methyl]-2-pyridinyl]methyl]urea
CID 125499687
ethyl 4-[N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111163268
ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate
CID 112730433
(2S)-2-amino-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 79022904
2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid
CID 62306859
2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]butanoic acid
CID 55057146

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate (CID 55057245) is ethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCc1cccc(C)n1.
What is the InChIKey of ethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate?
The InChIKey is RXOWMSWWWYSSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-18-11(16)8-14-12(17)13-7-10-6-4-5-9(2)15-10/h4-6H,3,7-8H2,1-2H3,(H2,13,14,17).
What are the key properties of ethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate?
ethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate has a molecular weight of 251.29 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate is sourced from PubChem (CID 55057245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).