3-(pyrazin-2-ylcarbamoylamino)propanoic acid

C8H10N4O3 — CID 110492132

IUPAC3-(pyrazin-2-ylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)Nc1cnccn1
InChIInChI=1S/C8H10N4O3/c13-7(14)1-2-11-8(15)12-6-5-9-3-4-10-6/h3-5H,1-2H2,(H,13,14)(H2,10,11,12,15)
InChIKeyPWQOFQPGJLLCKF-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.07
Rot. Bonds4

About 3-(pyrazin-2-ylcarbamoylamino)propanoic acid

3-(pyrazin-2-ylcarbamoylamino)propanoic acid (PubChem CID 110492132) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 3-(pyrazin-2-ylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(pyrazin-2-ylcarbamoylamino)propanoic acid
PubChem CID110492132
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name3-(pyrazin-2-ylcarbamoylamino)propanoic acid
SMILESO=C(O)CCNC(=O)Nc1cnccn1
InChIInChI=1S/C8H10N4O3/c13-7(14)1-2-11-8(15)12-6-5-9-3-4-10-6/h3-5H,1-2H2,(H,13,14)(H2,10,11,12,15)
InChIKeyPWQOFQPGJLLCKF-UHFFFAOYSA-N
XLogP0.07
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(pyrazin-2-ylcarbamoylamino)hexanoic acid
CID 110492246
1-(3-hydroxypropyl)-3-pyrazin-2-ylurea
CID 110492118
1-pentyl-3-pyrazin-2-ylurea
CID 110492127
1-[3-(dimethylamino)propyl]-3-pyrazin-2-ylurea
CID 110492155
1-(3-phenylpropyl)-3-pyrazin-2-ylurea
CID 108893900
3-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 61187643
1-(4-imidazol-1-ylbutyl)-3-pyrazin-2-ylurea
CID 110492282
tert-butyl N-[3-oxo-3-(pyrazin-2-ylamino)propyl]carbamate
CID 122135229
1-[2-(3-bromophenyl)ethyl]-3-pyrazin-2-ylurea
CID 108893891
3-(isoquinolin-5-ylcarbamoylamino)propanoic acid
CID 61205972
1-[(2-chlorophenyl)methyl]-3-pyrazin-2-ylurea
CID 110492285
N-pyrazin-2-ylpentanamide
CID 91469646

Frequently Asked Questions

What is the IUPAC name of 3-(pyrazin-2-ylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(pyrazin-2-ylcarbamoylamino)propanoic acid (CID 110492132) is 3-(pyrazin-2-ylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(pyrazin-2-ylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(pyrazin-2-ylcarbamoylamino)propanoic acid is O=C(O)CCNC(=O)Nc1cnccn1.
What is the InChIKey of 3-(pyrazin-2-ylcarbamoylamino)propanoic acid?
The InChIKey is PWQOFQPGJLLCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c13-7(14)1-2-11-8(15)12-6-5-9-3-4-10-6/h3-5H,1-2H2,(H,13,14)(H2,10,11,12,15).
What are the key properties of 3-(pyrazin-2-ylcarbamoylamino)propanoic acid?
3-(pyrazin-2-ylcarbamoylamino)propanoic acid has a molecular weight of 210.19 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrazin-2-ylcarbamoylamino)propanoic acid is sourced from PubChem (CID 110492132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).