1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid

C10H15N3O3 — CID 173249540

IUPAC1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid
SMILESCC(C)NC(=O)CN1C=C(C(=O)O)N=CC1
InChIInChI=1S/C10H15N3O3/c1-7(2)12-9(14)6-13-4-3-11-8(5-13)10(15)16/h3,5,7H,4,6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyQRUPWUMQINGICS-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.18
Rot. Bonds4

About 1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid

1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid (PubChem CID 173249540) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid
PubChem CID173249540
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid
SMILESCC(C)NC(=O)CN1C=C(C(=O)O)N=CC1
InChIInChI=1S/C10H15N3O3/c1-7(2)12-9(14)6-13-4-3-11-8(5-13)10(15)16/h3,5,7H,4,6H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyQRUPWUMQINGICS-UHFFFAOYSA-N
XLogP-0.18
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-propanoyl-2,3-dihydro-1H-pyrazine-5-carboxylic acid
CID 152304958
4-acetyl-2,3-dihydro-1H-pyrazine-5-carboxylic acid
CID 153901808
(2R)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28789556
(2S)-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 28789558
2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 28789977
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 43211062
2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 43465507
2-[butan-2-yl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 54925454
2-[cyclopropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 54945914
2-[2-methylpropyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 55148205
2-[carboxymethyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 55245938
2-[(6-oxo-1H-pyrazine-3-carbonyl)-propan-2-ylamino]acetic acid
CID 60832025

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid (CID 173249540) is 1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid is CC(C)NC(=O)CN1C=C(C(=O)O)N=CC1.
What is the InChIKey of 1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid?
The InChIKey is QRUPWUMQINGICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(2)12-9(14)6-13-4-3-11-8(5-13)10(15)16/h3,5,7H,4,6H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid?
1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid has a molecular weight of 225.25 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(propan-2-ylamino)ethyl]-2H-pyrazine-5-carboxylic acid is sourced from PubChem (CID 173249540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).