4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid

C11H15N3O3 — CID 55156017

IUPAC4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid
SMILESO=C(O)CCCNc1nccn(C2CC2)c1=O
InChIInChI=1S/C11H15N3O3/c15-9(16)2-1-5-12-10-11(17)14(7-6-13-10)8-3-4-8/h6-8H,1-5H2,(H,12,13)(H,15,16)
InChIKeyKJEAUPLRMZSHLV-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.85
Rot. Bonds6

About 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid

4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid (PubChem CID 55156017) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid
PubChem CID55156017
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid
SMILESO=C(O)CCCNc1nccn(C2CC2)c1=O
InChIInChI=1S/C11H15N3O3/c15-9(16)2-1-5-12-10-11(17)14(7-6-13-10)8-3-4-8/h6-8H,1-5H2,(H,12,13)(H,15,16)
InChIKeyKJEAUPLRMZSHLV-UHFFFAOYSA-N
XLogP0.85
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Cyclopropyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid
CID 55155062
2-Cyclopropyl-2-[(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid
CID 55155252
3-[[4-(2-Methylpropyl)-3-oxopyrazin-2-yl]amino]butanoic acid
CID 55156209
3-[(4-Tert-butyl-3-oxopyrazin-2-yl)amino]butanoic acid
CID 55156210
2-[[2-[(4-Cyclopropyl-3-oxopyrazin-2-yl)amino]acetyl]amino]acetic acid
CID 55156399
2-[(3-Oxo-4-propylpyrazin-2-yl)amino]butanoic acid
CID 55156400
2-[(4-Ethyl-3-oxopyrazin-2-yl)amino]pentanoic acid
CID 55156594
3-[(4-Cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid
CID 62938370
3-[(4-Ethyl-3-oxopyrazin-2-yl)amino]butanoic acid
CID 62938371
3-[(3-Oxo-4-propylpyrazin-2-yl)amino]butanoic acid
CID 62938372
4-Methyl-4-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]pentanoic acid
CID 62938567
4-[(4-Cyclopropyl-3-oxopyrazin-2-yl)amino]-4-methylpentanoic acid
CID 62938568

Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid?
The IUPAC name of 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid (CID 55156017) is 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid.
What is the SMILES notation for 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid?
The canonical SMILES for 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid is O=C(O)CCCNc1nccn(C2CC2)c1=O.
What is the InChIKey of 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid?
The InChIKey is KJEAUPLRMZSHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-9(16)2-1-5-12-10-11(17)14(7-6-13-10)8-3-4-8/h6-8H,1-5H2,(H,12,13)(H,15,16).
What are the key properties of 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid?
4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid is sourced from PubChem (CID 55156017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).