2-amino-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide

C9H15N5O2 — CID 65232096

IUPAC2-amino-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C9H15N5O2/c10-3-8(15)13-5-9(16)12-2-1-7-4-11-6-14-7/h4,6H,1-3,5,10H2,(H,11,14)(H,12,16)(H,13,15)
InChIKeyCPCGZZXIOHDNJR-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.86
Rot. Bonds6

About 2-amino-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide

2-amino-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide (PubChem CID 65232096) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-amino-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide
PubChem CID65232096
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name2-amino-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)NCCc1cnc[nH]1
InChIInChI=1S/C9H15N5O2/c10-3-8(15)13-5-9(16)12-2-1-7-4-11-6-14-7/h4,6H,1-3,5,10H2,(H,11,14)(H,12,16)(H,13,15)
InChIKeyCPCGZZXIOHDNJR-UHFFFAOYSA-N
XLogP-1.86
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide (CID 65232096) is 2-amino-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide is NCC(=O)NCC(=O)NCCc1cnc[nH]1.
What is the InChIKey of 2-amino-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide?
The InChIKey is CPCGZZXIOHDNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c10-3-8(15)13-5-9(16)12-2-1-7-4-11-6-14-7/h4,6H,1-3,5,10H2,(H,11,14)(H,12,16)(H,13,15).
What are the key properties of 2-amino-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide?
2-amino-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide has a molecular weight of 225.25 g/mol, XLogP of -1.86, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[2-(1H-imidazol-5-yl)ethylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 65232096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).