2-amino-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]acetamide

C8H11N3O2 — CID 66569055

IUPAC2-amino-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]acetamide
SMILESNCC(=O)NCC(=O)c1ccc[nH]1
InChIInChI=1S/C8H11N3O2/c9-4-8(13)11-5-7(12)6-2-1-3-10-6/h1-3,10H,4-5,9H2,(H,11,13)
InChIKeyJNMVSVPXIVBYJQ-UHFFFAOYSA-N
MW181.20 g/mol
LogP-0.73
Rot. Bonds4

About 2-amino-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]acetamide

2-amino-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]acetamide (PubChem CID 66569055) has the molecular formula C8H11N3O2 and a molecular weight of 181.20 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]acetamide
PubChem CID66569055
Molecular FormulaC8H11N3O2
Molecular Weight181.20 g/mol
Exact Mass181.09
IUPAC Name2-amino-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]acetamide
SMILESNCC(=O)NCC(=O)c1ccc[nH]1
InChIInChI=1S/C8H11N3O2/c9-4-8(13)11-5-7(12)6-2-1-3-10-6/h1-3,10H,4-5,9H2,(H,11,13)
InChIKeyJNMVSVPXIVBYJQ-UHFFFAOYSA-N
XLogP-0.73
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]acetamide?
The IUPAC name of 2-amino-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]acetamide (CID 66569055) is 2-amino-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]acetamide is NCC(=O)NCC(=O)c1ccc[nH]1.
What is the InChIKey of 2-amino-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]acetamide?
The InChIKey is JNMVSVPXIVBYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c9-4-8(13)11-5-7(12)6-2-1-3-10-6/h1-3,10H,4-5,9H2,(H,11,13).
What are the key properties of 2-amino-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]acetamide?
2-amino-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]acetamide has a molecular weight of 181.20 g/mol, XLogP of -0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]acetamide is sourced from PubChem (CID 66569055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).