ethyl 2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]acetate

C10H16N4O3 — CID 65231536

IUPACethyl 2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C10H16N4O3/c1-2-17-9(15)6-13-10(16)12-4-3-8-5-11-7-14-8/h5,7H,2-4,6H2,1H3,(H,11,14)(H2,12,13,16)
InChIKeyRUYFQJADEGQNHW-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.19
Rot. Bonds6

About ethyl 2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]acetate

ethyl 2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]acetate (PubChem CID 65231536) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]acetate
PubChem CID65231536
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Nameethyl 2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C10H16N4O3/c1-2-17-9(15)6-13-10(16)12-4-3-8-5-11-7-14-8/h5,7H,2-4,6H2,1H3,(H,11,14)(H2,12,13,16)
InChIKeyRUYFQJADEGQNHW-UHFFFAOYSA-N
XLogP-0.19
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
3-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 65231716
(2S)-2-amino-N-[2-(1H-imidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 65232379
ethyl 3-(1H-imidazol-5-ylmethylamino)propanoate
CID 62761064
copper;tetrakis(1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methylphenyl)urea);dichloride
CID 139185524
tert-butyl N-[3-[2-(1H-imidazol-5-yl)ethylamino]-3-oxopropyl]carbamate
CID 10588966
N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
ethyl 2-[2-(4,5-dimethylthiophen-3-yl)ethylcarbamoylamino]acetate
CID 22575181
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylpentanamide
CID 65232151
1-[2-(1H-imidazol-5-yl)ethyl]-3-(4-methoxyphenyl)urea
CID 65231458
(2S)-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]pentanoic acid
CID 107567139

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]acetate (CID 65231536) is ethyl 2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCCc1cnc[nH]1.
What is the InChIKey of ethyl 2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]acetate?
The InChIKey is RUYFQJADEGQNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-2-17-9(15)6-13-10(16)12-4-3-8-5-11-7-14-8/h5,7H,2-4,6H2,1H3,(H,11,14)(H2,12,13,16).
What are the key properties of ethyl 2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]acetate?
ethyl 2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]acetate has a molecular weight of 240.26 g/mol, XLogP of -0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]acetate is sourced from PubChem (CID 65231536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).