2-cyclopropyl-2-[(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid

C12H17N3O3 — CID 55155252

IUPAC2-cyclopropyl-2-[(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid
SMILESCCCn1ccnc(NC(C(=O)O)C2CC2)c1=O
InChIInChI=1S/C12H17N3O3/c1-2-6-15-7-5-13-10(11(15)16)14-9(12(17)18)8-3-4-8/h5,7-9H,2-4,6H2,1H3,(H,13,14)(H,17,18)
InChIKeyGCTWCNJILQTMSB-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.93
Rot. Bonds6

About 2-cyclopropyl-2-[(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid

2-cyclopropyl-2-[(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid (PubChem CID 55155252) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid
PubChem CID55155252
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-cyclopropyl-2-[(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid
SMILESCCCn1ccnc(NC(C(=O)O)C2CC2)c1=O
InChIInChI=1S/C12H17N3O3/c1-2-6-15-7-5-13-10(11(15)16)14-9(12(17)18)8-3-4-8/h5,7-9H,2-4,6H2,1H3,(H,13,14)(H,17,18)
InChIKeyGCTWCNJILQTMSB-UHFFFAOYSA-N
XLogP0.93
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-2-[(3-oxo-4-propylpyrazin-2-yl)amino]acetic 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

2-[3-[3-[[1-Cyclopropyl-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propylamino]-2-oxopyrazin-1-yl]acetic acid
CID 69589991
tert-butyl 2-cyclopropyl-2-[3-[(2-oxo-1H-pyrazin-3-yl)amino]propylamino]acetate
CID 70022687
(2S)-4-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrazin-1-yl]pentanoic acid
CID 163226814
2-(3-Amino-2-oxopyrazin-1-yl)-4-methylpentanoic acid
CID 163226854
4-Methyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]pentanoic acid
CID 55154867
2-Cyclopropyl-2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetic acid
CID 55155062
6-[(3-Oxo-4-propan-2-ylpyrazin-2-yl)amino]hexanoic acid
CID 55156016
4-[(4-Cyclopropyl-3-oxopyrazin-2-yl)amino]butanoic acid
CID 55156017
3-[(1-Hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylpyrazin-2-one
CID 55156032
3-[[4-(2-Methylpropyl)-3-oxopyrazin-2-yl]amino]butanoic acid
CID 55156209
3-[(1-Hydroxy-4-methylpentan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55156223
2-[(3-Oxo-4-propylpyrazin-2-yl)amino]butanoic acid
CID 55156400

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid (CID 55155252) is 2-cyclopropyl-2-[(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid is CCCn1ccnc(NC(C(=O)O)C2CC2)c1=O.
What is the InChIKey of 2-cyclopropyl-2-[(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid?
The InChIKey is GCTWCNJILQTMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-6-15-7-5-13-10(11(15)16)14-9(12(17)18)8-3-4-8/h5,7-9H,2-4,6H2,1H3,(H,13,14)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid?
2-cyclopropyl-2-[(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid has a molecular weight of 251.29 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3-oxo-4-propylpyrazin-2-yl)amino]acetic acid is sourced from PubChem (CID 55155252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).