2-[(3-carbamoylpyrazin-2-yl)amino]acetic acid

C7H8N4O3 — CID 62684494

IUPAC2-[(3-carbamoylpyrazin-2-yl)amino]acetic acid
SMILESNC(=O)c1nccnc1NCC(=O)O
InChIInChI=1S/C7H8N4O3/c8-6(14)5-7(10-2-1-9-5)11-3-4(12)13/h1-2H,3H2,(H2,8,14)(H,10,11)(H,12,13)
InChIKeyGAAYZXZUVJSQCF-UHFFFAOYSA-N
MW196.17 g/mol
LogP-0.93
Rot. Bonds4

About 2-[(3-carbamoylpyrazin-2-yl)amino]acetic acid

2-[(3-carbamoylpyrazin-2-yl)amino]acetic acid (PubChem CID 62684494) has the molecular formula C7H8N4O3 and a molecular weight of 196.17 g/mol. Its IUPAC name is 2-[(3-carbamoylpyrazin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-carbamoylpyrazin-2-yl)amino]acetic acid
PubChem CID62684494
Molecular FormulaC7H8N4O3
Molecular Weight196.17 g/mol
Exact Mass196.06
IUPAC Name2-[(3-carbamoylpyrazin-2-yl)amino]acetic acid
SMILESNC(=O)c1nccnc1NCC(=O)O
InChIInChI=1S/C7H8N4O3/c8-6(14)5-7(10-2-1-9-5)11-3-4(12)13/h1-2H,3H2,(H2,8,14)(H,10,11)(H,12,13)
InChIKeyGAAYZXZUVJSQCF-UHFFFAOYSA-N
XLogP-0.93
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Pterin
CID 135398660
Pterin-6-Carboxylic Acid
CID 135403803
Pteridin-4-ol
CID 135460266
Aminopyrazine carboxamide
CID 280292
2-Amino-1,4-dihydro-4-oxopteridine-7-carboxylic acid
CID 135460042
6-methyl-2-pivaloylamino-4(3H)-pteridinone
CID 135423678
3-Methyl-2-(methylamino)pteridin-4-one
CID 127048051
3,5-diamino-N-(diaminomethylidene)pyrazine-2-carboxamide;hydrochloride
CID 57394424
Dimethylpterin
CID 135443570
3-Amino-N-methylpyrazine-2-carboxamide
CID 10820748
2-amino-4-oxo-3H-pteridine-7-carboxamide
CID 136025898
2-amino-N-methyl-4-oxo-3H-pteridine-7-carboxamide
CID 136025899

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoylpyrazin-2-yl)amino]acetic acid?
The IUPAC name of 2-[(3-carbamoylpyrazin-2-yl)amino]acetic acid (CID 62684494) is 2-[(3-carbamoylpyrazin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(3-carbamoylpyrazin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(3-carbamoylpyrazin-2-yl)amino]acetic acid is NC(=O)c1nccnc1NCC(=O)O.
What is the InChIKey of 2-[(3-carbamoylpyrazin-2-yl)amino]acetic acid?
The InChIKey is GAAYZXZUVJSQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3/c8-6(14)5-7(10-2-1-9-5)11-3-4(12)13/h1-2H,3H2,(H2,8,14)(H,10,11)(H,12,13).
What are the key properties of 2-[(3-carbamoylpyrazin-2-yl)amino]acetic acid?
2-[(3-carbamoylpyrazin-2-yl)amino]acetic acid has a molecular weight of 196.17 g/mol, XLogP of -0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoylpyrazin-2-yl)amino]acetic acid is sourced from PubChem (CID 62684494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).