ethyl 2-(1-pyridin-2-ylethylcarbamoylamino)acetate

C12H17N3O3 — CID 17182607

IUPACethyl 2-(1-pyridin-2-ylethylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NC(C)c1ccccn1
InChIInChI=1S/C12H17N3O3/c1-3-18-11(16)8-14-12(17)15-9(2)10-6-4-5-7-13-10/h4-7,9H,3,8H2,1-2H3,(H2,14,15,17)
InChIKeyCIKMUJXEMUOCGF-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.00
Rot. Bonds5

About ethyl 2-(1-pyridin-2-ylethylcarbamoylamino)acetate

ethyl 2-(1-pyridin-2-ylethylcarbamoylamino)acetate (PubChem CID 17182607) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is ethyl 2-(1-pyridin-2-ylethylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(1-pyridin-2-ylethylcarbamoylamino)acetate
PubChem CID17182607
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Nameethyl 2-(1-pyridin-2-ylethylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NC(C)c1ccccn1
InChIInChI=1S/C12H17N3O3/c1-3-18-11(16)8-14-12(17)15-9(2)10-6-4-5-7-13-10/h4-7,9H,3,8H2,1-2H3,(H2,14,15,17)
InChIKeyCIKMUJXEMUOCGF-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(propan-2-yl)-N'-(pyridin-2-ylmethyl)ethanediamide
CID 2053858
N-(2,2-diethoxyethyl)pyridine-2-methylamine
CID 81407
methyl (2R)-2-[[(2R)-2-[[2-[2-[bis(pyridin-2-ylmethyl)amino]ethyl-methylamino]acetyl]amino]propanoyl]amino]propanoate
CID 155540468
methyl (2R)-2-[[(2R)-2-[[2-[bis(pyridin-2-ylmethyl)amino]acetyl]amino]propanoyl]amino]propanoate
CID 118001065
Pyridinium, 1-(2-ethoxy-2-oxoethyl)-2-methyl-, bromide (1:1)
CID 108772
(S)-methyl 4-(methylthio)-2-(3-(pyridin-2-ylmethyl)ureido)butanoate
CID 663881
(S)-3-Methyl-2-(3-pyridin-2-ylmethyl-ureido)-pentanoic acid methyl ester
CID 9551668
N'-tert-butyl-N-(pyridin-2-ylmethyl)oxamide
CID 3114026
(S)-3-Methyl-2-(3-pyridin-3-ylmethyl-ureido)-pentanoic acid methyl ester
CID 16682431
[(Pyridine-2-carbonyl)-amino]-acetic acid methyl ester
CID 43404717
1-Cyclohexyl-3-(pyridin-2-ylmethyl)urea
CID 2931220
4-Carbethoxymethyl-3-thiosemicarbazone 2-acetylpyridine
CID 9602078

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-pyridin-2-ylethylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(1-pyridin-2-ylethylcarbamoylamino)acetate (CID 17182607) is ethyl 2-(1-pyridin-2-ylethylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(1-pyridin-2-ylethylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(1-pyridin-2-ylethylcarbamoylamino)acetate is CCOC(=O)CNC(=O)NC(C)c1ccccn1.
What is the InChIKey of ethyl 2-(1-pyridin-2-ylethylcarbamoylamino)acetate?
The InChIKey is CIKMUJXEMUOCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-3-18-11(16)8-14-12(17)15-9(2)10-6-4-5-7-13-10/h4-7,9H,3,8H2,1-2H3,(H2,14,15,17).
What are the key properties of ethyl 2-(1-pyridin-2-ylethylcarbamoylamino)acetate?
ethyl 2-(1-pyridin-2-ylethylcarbamoylamino)acetate has a molecular weight of 251.29 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-pyridin-2-ylethylcarbamoylamino)acetate is sourced from PubChem (CID 17182607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).